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Seitenanfang
2017
Cramer, J.; Schiebel, J.; Wulsdorf, T.; Grohe, K.; Najbauer, E.E.; Ehrmann, F.R.; Radeva, N.; Zitzer, N.; Linne, U.; Linser, R.; Heine, A.; Klebe, G.
Angew. Chem. Int. Ed. Engl.
56
(7)
, 1908-1913
Cramer, J.; Klebe, G.
SYNTHESIS
49
(8)
, 1857-1866
Cramer, J.; Krimmer, S.G.; Fridh, V.; Wulsdorf, T.; Karlsson, R.; Heine, A.; Klebe, G.
ACS Chem. Biol.
12
(1)
, 225-233
Ehrmann, F.R.; Stojko, J.; Metz, A.; Debaene, F.; Barandun, L.J.; Heine, A.; Diederich, F.; Cianférani, S.; Reuter, K.; Klebe, G.
PLoS One
12
(4)
,
Schiebel, J.; Gaspari, R.; Sandner, A.; Ngo, K.; Gerber, H.D.; Cavalli, A.; Ostermann, A.; Heine, A.; Klebe, G.
Angew. Chem. Int. Ed. Engl.
56
(17)
, 4887-4890
Rechlin, C.; Scheer, F.; Terwesten, F.; Wulsdorf, T.; Pol, E.; Fridh, V.; Toth, P.; Diederich W.E.; Heine, A.; Klebe, G.
ACS Chem. Biol.
12
(5)
, 1397-1415
Seitenanfang
2016
Rühmann, E.; Rupp, M.; Betz, M.; Heine, A.; Klebe, G.
ChemMedChem
11
(3)
, 309-319
Betz, M.; Wulsdorf, T.; Krimmer, S.G.; Klebe, G.
J Chem Inf Model
56
(1)
, 223-233
Schiebel, J.; Krimmer, S.G.; Röwer, K.; Knörlein, A.; Wang, X.; Park, A.Y.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Radeva, N.; Krug, M.; Huschmann, F.U.; Glöckner, S.; Weiss, M.S.; Müller, U.; Klebe, G.; Heine A.
Structure
24
(8)
, 1398-1409
Mondal, M.; Radeva, N.; Fanlo-Virgós, H.; Otto, S.; Klebe, G. Hirsch, A.K.
Angew Chem Int Ed Engl
55
(32)
, 9422-9426
Bertoletti, N.; Braun, F.; Lepage, M.; Möller, G.; Adamski, J.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.
J Med Chem
59
(14)
, 6961-6970
Gaspari, R.; Rechlin, C.; Heine, A.; Bottegoni, G.; Rocchia, W.; Schwarz, D.; Bomke, J.; Gerber, H.D.; Klebe, G.; Cavalli, A.
J Med Chem
59
(9)
, 4245-4256
Neeb, M.; Hohn, C.; Ehrmann, F.; Härtsch, A.; Heine, A.; Diederich, F.; Klebe, G.
Bioorg Med Chem
24
(20)
, 4900-4910
Radeva, N.; Krimmer, S.; Stieler, M.; Fu, K.; Wang, X.; Ehrmann, F.; Metz, A.; Huschmann, F.; Weiss, M.; Mueller, U.; Schiebel, J.; Heine, A.; Klebe, G.
J Med Chem
59
(16)
, 7561-7575
Hinkes, S.; Wuttke, A.; Saupe S.M.; Ivanova, T.; Wagner, S.; Knörlein, A.; Heine, A.; Klebe, G.; Steinmetzer, T.
J Med Chem
59
(13)
, 6370-6386
Huschmann, F.U.; Linnik, J.; Sparta, K.; Uehlein, M.; Wang, X.; Metz, A.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M.S.; Mueller, U.
Acta Crystallogr F Struct Biol Commun
72
, 346-355
Braun, F.; Bertoletti, N.; Möller, G.; Adamski, J.; Steinmetzer, T.; Salah, M.; van Koppen, C.J.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.
J. Med. Chem.
59
, 10719-10737
Krimmer, S.G.; Cramer, J.; Betz, M.; Fridh; Karlsson, R.; Heine, A.; Klebe, G.
J. Med. Chem.
59
(23)
, 10530-10548
Hohn, C.; Härtsch, A.; Ehrmann, F.R.; Pfaffeneder, T.; Trapp, N.; Dumele, O.; Klebe, G.; Diederich, F.
Chem. Eur. J.
22
, 6750-6754
Maiwald, A.; Hammami, M.; Wagner, s.; Heine, A.; Klebe, G.; Steinmetzer, T.
J. Enzym. Inhib.
31
, 89-97
Cramer, J.; Schiebel, J.; Wulsdorf, T.; Grohe, K.; Najbauer, E.E.; Ehrmann, F.R.; Radeva, N.; Zitzer, N.; Linne, U.; Linser, R.; Heine, A.; Klebe, G.
J. Med. Chem.
59
, 9743-9759
Leinweber, M.; Fober, T.; Strickert, M.; Baumgaertner, L.; Klebe, G.; Freisleben, B.; Huellermeier, E.
IEEE Transactions on knowledge and data engineering
28
, 1423-1434
Schiebel, J.; Radeva, N.; Krimmer, S.G.; Wang, X.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Huschmann F.U.; Metz, A.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.
ACS Chem. Biol.
11
, 1693-1701
Seitenanfang
2015
Stefek, M.; Soltesova, Prnova m.; Majekova, M.; Rechlin, C.; Heine, A.; Klebe, G.
J Med Chem
58
(6)
, 2649-57
Kuhnert, M.; Köster, H.; Bartholomäus, R.; Park, A.Y.; Shahim, A.; Heine, A.; Steuber, H.; Klebe, G.; Diederich, W. E.
Angew Chem Int Ed Engl
54
(9)
, 2849-53
Klebe, G.
Nat Rev Drug Discov
14
(2)
, 95-110
Rühmann, E.; Betz, M.; Fricke, M.; Heine, A.; Schäfer, M.; Klebe, G.
Biochim Biophys Acta
1850
(4)
, 647-56
Barandun, L.J.; Ehrmann, F.R.; Zimmerli, D.; Immekus, F.; Giroud, M.; Grünenfelder, C.; Schweizer, W.B.; Bernet, B.; Betz, M.; Heine, A.K Klebe, G.; Diederich F.
Chem Eur J
1
(21)
, 126-35
Krotzky, T.; Grundwald, C.; Egelerand, U.; Klebe, G.
J Chem Inf Model
55
(1)
, 165-79
Klebe, G.
ChemMedChem
10
(2)
, 229-31
Hartmann, A.M.; Mondal, M.; Radeva, N.; Klebe, G.; Hirsch, A.K.
Int J Mol Sci
16
(8)
, 19184-94
Rühmann, E.; Betz, M.; Heine, A.; Klebe, G.
J Med Chem
58
(17)
, 6960-71
Jakobi, S.; Nguyen, P.T.; Debaene, F.; Cianférani, S.; Reuter, K.; Klebe, G.
ACS Chem Biol
10
(8)
, 1897-907
Schiebel, J.; Radeva, N.; Köster, H.; Metz, A.; Krotzky, T.; Kuhnert, M.; Diederich, W.E.; Heine, A.; Neumann, L.; Atmanene, C.; Roecklin, D.; Vivat-Hannah, V.; Renaud, J.P.; Meinecke, R.; Schlinck, N.; Sitte, A.; Popp, F.; Zeeb, M.; Klebe, G.
ChemMedChem
10
(9)
, 1511-21
Krimmer, S.G.; Klebe, G.
Comput Aided Mol Des
29
(9)
, 867-883
Ruiz, F.X.; Cousido-Siah, A.; Porté, S.; Domínguez, M.; Crespo, I.; Rechlin, C.; Mitschler, A.; de Lera, A.R.; Martín, M.J.; de la Fuente, J.A.; Klebe, G.; Parés, X.; Farrés, J.; Podjarny, A.
ChemMedChem
10
(12)
, 1989-2003
Krotzky, T.; Klebe, G.
Mol Inform
34
(8)
, 550-558
Klebe, G.
G. Scapin et al. (eds.), Multifaceted Roles of Crystallography in Modern Drug Discovery, NATO Science for Peace and Security Series A: Chemistry and Biology
,
(book)
Klebe, G.
Scapin et al. (eds.), Multifaceted Roles of Crystallography in Modern Drug Discovery, NATO Science for Peace and Security Series A: Chemistry and Biology
,
(book)
Seitenanfang
2014
Grüner, S.; Neeb, M.; Barandun, L.; Sielaff, F.; Hohn, C.; Kojima, S.; Steinmetzer, T.; Diederich, F.; Klebe, G.
Biochim Biophys Acta
1840
(9)
, 2843-2850
Sun, W.; Wendt, M.; Klebe, G.; Röhm, K.H.
J Enzyme Inhib Med Chem
1
(29)
, 92-99
Mondal, M.; Radeva, N.; Köster, H.; Park, A.; Potamitis, C.; Zervou, M.; Klebe, G.; Hirsch, A.K.
Angew Chem Int Ed Engl
12
(53)
, 3259-3263
Neeb, M.; Betz, M.; Heine, A.; Barandun, L.J.; Hohn, C.; Diederich, F.; Klebe, G.
J Med Chem
13
(57)
, 5566-78
Jakobi, S.; Nguyen, T.X.; Debaene, F.; Metz, A.; Sanglier-Cianférani, S.; Reuter, K.; Klebe, G.
Proteins
10
(82)
, 2713-32
Neeb, M.; Chzodrowski, P.; Heine, A.; Barandun, L.J.; Hohn, C.; Diederich, F.; Klebe, G.
J Med Chem
13
(57)
, 5554-65
Stock, M.; Fober, T.; Hüllermeier, E.; glinca, S.; Klebe, G.; Pahikkala, T.; Airola, A.; De Beaets, B.; Waegeman, W.
IEEE/ACM Trans Comput Biol Bioinform
11
(6)
, 1157-1169
Krotzky, T.; Fober, T.; Hüllermeier, E.; Klebe, G.
IEEE/ACM Trans Comput Biol Bioinform
11
(5)
, 878-890
Krotzky, T.; Rickmeyer, T.; Fober, T.; Klebe, G.
J Chem Inf Model
54
, 3229-3237
Cousido-Siah, A.; Ruiz, F.X.; Mitschler, A.; Porté, S.; de Lera, A.R.; Martin, M. J.; Manzanaro, S.; de la Fuente, J.A.; Terwesten, F.; Betz, M.; Klebe, G.; Farrés, J.; Parés, X.; Podjarny, A.
Biological Crystallography, Acta Crystallographica Section D
70
(3)
, 889-903
Krimmer, S.G.; Betz, M.; Heine, A.; Klebe, G.
ChemMedChem
4
(9)
, 833-846
Seitenanfang
2013
Samsonova, O.; Glinca, S.; Biela A.; Pfeiffer, C.; Dayyoub, E.; Sahin, D.; Klebe, G.; Kissel, T.
Acta Biomaterialia
9
, 4994-5002
Gersch, M.; Gut, F.; Korotkov, V.S.; Lehmann, J.; Böttcher, T.; Rusch, M.; Hedberg, C.; Waldmann, H.; Klebe, G.; Sieber S.A.
Angew Chem Int Ed Engl
52
(10)
, 3009-3014
Schrader, F.C.; Glinca, S.; Sattler, J.M.; Dahse, H.M.; Afanador, G.A.; Prigge, S.T.; Lanzer, M.; Mueller, A.K.; Klebe, G.; Schlitzer, M.
ChemMedChem
8
(3)
, 442-461
Saupe, S.M.; Leubner, S.; Betz, M.; Klebe, G.; Steinmetzer, T.
J Med Chem
56
(3)
, 820-831
Biela, A.; Nasief, N.N.; Betz, M.; Heine, A.; Hangauer, D.; Klebe, G.
Angew Chem Int Ed Engl
52
(6)
, 1822-1828
Cordes, P.; Sun, W.; Wolber, R.; Kolbe, L.; Klebe, G.; Röhm K. H.
Biol Chem
394
(5)
, 685-693
Immekus, F.; Barandun, L.J.; Betz, M.; Debaene, F.; Petiot, S.; Sanglier-Cianferani, S.; Reuter, K.; Diederich, F.; Klebe, G.
ACS Chem Biol
8
(6)
, 1163-1178
Biela, I.; Tidten-Luksch, N.; Immekus, F.; Glinca, S.; Nguyen, T.X.; Gerber, H.D.; Heine, A.; Klebe, G.; Reuter, K.
PLoS One
8
(5)
,
Glinca, S.; Klebe, G.
J Chem Inf Model
53
(8)
, 2082-2092
Stieler, M.; Weber, J.; Hils, M.; Kolb, P.; Heine, A.; Büchold, C.; Pasternack, R.; Klebe, G.
Angew Chem Int Ed Engl
125
(45)
, 12148-12153
Barandun, L. J.; Immekus, F.; Kohler, P.C.; Ritschel, T.; Heine, A.; Orlando, P.; Klebe, G.; Diederich, F.
Acta Crystallogr D Biol Crystallogr
69
, 1798-1807
Seitenanfang
2012
Behnen, J.; Köster, H.; Neudert, G.; Craan, T.; Heine, A.; Klebe, G.
ChemMedChem
2
(7)
, 248-261
Toth, P.; Naruhn, S.; Pape, V.; Dörr, S.; Klebe, G.; Müller, R., Diederich, W.
ChemMedChem
1
(7)
, 159-170
Biela, A.; Khayat M.; Tan, H.; Kong, J.; Heine, A.; Hangauer, D.; Klebe, G.
J Mol Biol
418
(5)
, 350-366
Barandun, L. J.; Immekus, F.; Kohler, P. C.; Tonazzi, S.; Wagner, B.; Wendelspiess, S.; Ritschel, T.; Heine, A.; Kansy, M.; Klebe, G.; Diederich, F.
Chemistry Europ. J.
18
(30)
, 9246-9257
Biela, A.; Betz, M.; Heine, A.; Klebe, G.
ChemMedChem
7
(8)
, 1423-1434
Biela, A.; Sielaff, F.; Terwesten, F.; Heine, A.; Steinmetzer, T.; Klebe, G.
J Med Chem
55
(13)
, 6094-6110
Reul, R.; Nguyen, J.; Biela, A.; Marxer, E.; Bakowsky, U.; Klebe, G.; Kissel, T.
Int J Pharm
436
(1)
, 97-105
Gerber, H.D.; Klebe, G.
Org Biomol Chem
436
(10)
, 8660-8668
Cubrilovic, D.; Biela, A.; Sielaff, F.; Steinmetzer, T.; Klebe, G.; Zenobi, R.
J Am Soc Mass Spectrom
23
(10)
, 1768-1777
Steinmetzer, T.; Baum, B., Biela, A.; Klebe, G.; Nowak, G.; Bucha, E.
ChemMedChem
7
(11)
, 1965-1973
Hammami, M.; Rühmann, E.; Maurer, E.; Heine, A.; Gütschow, M.; Klebe, G.; Steinmetzer, T.
MedChemComm
3
, 807-813
Fober, T.; Mernberger, M.; Klebe, G.; Hüllermeier, E.
J Mol Inf
31
(6)
, 443-452
Zheng, M.; Pavan, G.M.; Neeb, M.; Schaper, A.K.; Danani, A.; Klebe, G.; Merkel, O.M.; Kissel, T.
ACS Nano
6
(11)
, 9447-9454
Seitenanfang
2011
Brandt, T.; Holzmann, N.; Muley, L.; Khayat, M.; Wegscheid-Gerlach, C.; Baum, B.; Heine, A.; Hangauer, D.; Klebe, G.
J Mol Biol
405
, 1170-1187
Koch, C.; Heine, A.; Klebe, G.
J Mol Biol
0
, 700-712
Fober, T.; Glinca, S.; Klebe, G. Hüllermeier, E.
IEEE/ACM transactions on Computational Biology and Bioinformatics
8
(6)
, 1653-1666
Schulze Wischeler, J.; Sun, D.; Sandner N. U.; Linne, U.; Heine, A.; Koert, U.; Klebe, G.
Chemistry Europ. J.
17
(21)
, 5842-5851
Spitzmüller, A.; Velec, H. F. G.; Klebe, G.
J. Chem. Inf. Model.
51
(6)
, 1423-1430
Blum, A.; Böttcher, J.; Dörr, S.; Heine, A.; Klebe, G.; Diederich, W. E.
J Mol Biol
410
, 745-755
Mernberger, M.; Klebe, G.; Hüllermeier, E.
IEE/ACM Trans Comput Biol Bioinform
8
(5)
, 1330-1343
Koch, C.; Heine, A.; Klebe, G.
J. Synchrotron. Rad.
18
, 782-789
Koch, C.; Heine, A.; Klebe, G.
BBA
1810
(9)
, 879-887
Tomasic, T.; Kovac, A.; Klebe, G.; Blanot, D.; Gobec, S.; Kikelj, D.; Masic, L. P.
J Mol Model
0
,
in press
Neudert, G.; Klebe, G.
Bioinformatics
7
, 1021-1022
Fuchs, J. E., Spitzer, G. M.; Javed, A., Biela, A.; Kreutz, C.; Wellenzohn, B.; Liedl, K. R.
J Chem Inf Model
9
(51)
, 2223-32
Naruhn, S.; Toth, P. M.; Adhikary, T.; Kaddatz, K.; Pape, V.; Dörr, S.; Klebe, G.; Müller-Brüsselbach, S.; Diederich W. E.; Müller, R.
Mol Pharmacol
80
, 828-838
Neudert, G.; Klebe, G.
J Chem Inf Model
51
(10)
, 2731-2745
Stegemann, B.; Klebe, G.
Proteins
80
(2)
, 626-648
Schulze Wischer, J.; Heine, A.; Klebe,G.
Current Chemical Biology
5
(1)
, 1-8
Kolb, P.; Klebe, G.
Angew Chem Int Ed
50
(49)
, 11573-11575
Köster, H.; Craan, T.; Brass, S.; Herhaus, C.; Zentgraf, M.; Neumann, L.; Heine, A.; Klebe, G
J Med Chem
22
(54)
, 7784-7796
Klebe, G.; Schlitzer, M.
Pharmazie in unserer Zeit
406
(21)
, 144-150
(review)
Seitenanfang
2010
Janiak, V.; Petersen, M.; Zentgraf, M.; Klebe, G.; Heine, A.
Acta Cryst.
0
, 593-603
Englert, L.; Silber, K.; Steuber, H.; Brass, S.; Over, B.; Gerber, H.-D.; Heine, A.; Diederich, W. E.; Klebe, G.
ChemMedChem
6
, 930-940
Baum, B.; Muley, L.; Smolinski, M.; Heine, A.; Hangauer, D.; Klebe, G.
J Mol Biol
397
(4)
, 1042-1054
Decher, N.; Streit, A. K.; Rapedius, M.; Netter, M. F.; Marzian, S.; Ehling, P.; Schlichthörl, G.; Craan, T.; Renigunta, V.; Köhler, A., Dodel, R. C.; Navarro-Polanco, R. A.; Preisig-Müller, R.; Klebe, G.
The EMBO J
29
, 2101-2113
Muley, L.; Baum, B.; Smolinski, M.; Freindorf, M.; Heine, A.; Klebe, G, Hangauer, D. G.
J Med Chem
53
, 2126-2135
Luksch, T.; Blum, A.; Klee, N.; Diederich, W. E.; Sotriffer, C. A.; Klebe, G.
ChemMedChem
5
(3)
, 443-454
Schulze Wischeler, J.; Innocenti, A.; Vullo, D.; Agrawal, A.; Cohen, S. M.; Heine, A.; Supuran, C. T.; Klebe, G.
ChemMedChem
5
(9)
, 1609-1615
Englert, L.; Biela, A.; Zayed, M.; Heine, A.; Hangauer, A.; Klebe, G.
Biochim Biophys Acta
1800
(11)
, 1192-1202
Pfeffer, P.; Fober, T.; Hüllermeier, E.; Klebe, G.
J. Chem. Inf. Model.
50
(9)
, 1644-1659
Ladbury, J. E.; Klebe G.; Freire, E.
Nat Rev Drug Discov.
9
(1)
, 23-27
(review)
Seitenanfang
2009
Meissner, M.; Koch, O.; Klebe, G.; Schneider, G.
Proteins
74
(2)
, 344-52
Koch, O.; Klebe, G.;
Proteins
74
(2)
, 353-67
Ritschel, T.; Hoertner, S.; Heine, A.; Diederich, F.; Klebe, G.;
Chembiochem.
10
(4)
, 716-27
Eisenmann, M.; Steuber, H.; Zentgraf, M.; Altenkämper, M.; Ortmann, R.; Perruchon, J.; Klebe, G.; Schlitzer, M.;
ChemMedChem
4
(5)
, 809-19
Ramsden, N.L.; Buetow, L.; Dawson, A.; Kemp, L.A.; Ulaganathan, V.; Brenk, R.; Klebe, G.; Hunter, W.N.;
J Med Chem.
52
(8)
, 2531-42
Baum, B.; Mohamed, M.; Zayed, M.; Gerlach, C.; Heine, A.; Hangauer, D.; Klebe, G.;
J Mol Biol.
390
(1)
, 56-69
Baum, B.; Muley, L.; Heine, A.; Smolinski, M.; Hangauer, D.; Klebe, G.;
J Mol Biol.
391
(3)
, 552-64
Fober, T.; Mernberger, M.; Klebe, G.; Hüllermeier, E.;
Bioinformatics
25
(16)
, 2110-2117
Weskamp, N.; Hüllermeier, E.; Klebe, G.;
Proteins
76
(2)
, 317-30
Kohler, P.C.; Ritschel, T.; Schweizer, W. B.; Klebe, G.; Diederich, F.
Chemistry Europ. J.
15
, 10809-10817
Ritschel, T.; Atmanene, C.; Reuter, K; Van Dorsselaer, A.; Sanglier-Cianferani, S.; Klebe, G.
J Mol Biol
393
, 833-847
Koch, O.; Cole, J.; Block, P.; Klebe, G.
J Chem Inf Model
49
(10)
, 2388-2402
Fan, H.; Irwin, J. J.; Webb, B. M.; Shoichet, B. K.; Klebe, G.
J Chem Inf Model
49
(11)
, 2512-2527
Ritschel, T.; Kohler, P. C.; Neudert, G.; Heine, A.; Diederich, F.; Klebe, G.
ChemMedChem
4
(12)
, 2012-2023
Klebe, G.;
Wirkstoffdesign : Entwurf und Wirkung von Arzneistoffen.
Spektrum Akademischer Verlag
0
,
(book)
Seitenanfang
2008
Kohring, K.; Wiesner, J.; Altenkämper, M.; Sakowski, J.; Silber, K.; Hillebrecht, A.; Haebel, P.; Dahse, H.M.; Ortmann, R.; Jomaa, H.; Klebe, G.; Schlitzer, M.;
ChemMedChem.
8
(3)
, 1217-31
Perruchon, J.; Ortmann, R.; Altenkämper, M.; Silber, K.; Wiesner, J.; Jomaa, H.; Klebe, G.; Schlitzer, M.;
ChemMedChem.
8
(3)
, 1232-41
Blum, A.; Böttcher, J.; Sammet, B.; Luksch, T.; Heine, A.; Klebe, G.; Diederich, W.E.;
Bioorg Med Chem.
18
(16)
, 8574-86
Böttcher, J.; Blum, A.; Dörr, S.; Heine, A.; Diederich, W.E.; Klebe, G.;
ChemMedChem.
9
(3)
, 1337-44
Böttcher, J.; Blum, A.; Heine, A.; Diederich, W.E.; Klebe, G.;
J Mol Biol.
2
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, 347-57
Blum, A.; Böttcher, J.; Heine, A.; Klebe, G.; Diederich, W.E.;
J Med Chem.
7
(51)
, 2078-87
Luksch, T.; Chan, N.S.; Brass, S.; Sotriffer, C.A.; Klebe, G.; Diederich, W.E.;
ChemMedChem.
9
(3)
, 1323-36
Hillebrecht, A.; Klebe, G.;
J Chem Inf Model.
2
(48)
, 384-96
Sotriffer, C.A.; Sanschagrin, P.; Matter, H.; Klebe, G.;
Proteins
73
(2)
, 395-419
Steuber, H.; Heine, A.; Podjarny, A.; Klebe, G.;
J Mol Biol.
5
(379)
, 991-1016
Kupas, K.; Ultsch, A.; Klebe, G.;
Proteins.
3
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, 1288-1306
Pfeffer, P.; Neudert, G.; Klebe, G.
ChemCent J
2
, 16-16
Seitenanfang
2007
Hörtner, S.R.; Ritschel, T.; Stengl, B.; Kramer, C.; Schweizer, W.B.; Wagner, B.; Kansy, M.; Klebe, G.; Diederich, F.;
Angew Chem Int Ed Engl.
0
, 8266-9
Dolinsky, T.J.; Czodrowski, P.; L.i.H.; Nielsen, J.E.; Jensen, J.H.; Klebe, G.; Baker, N.A.;
Nucleic Acids Res.
0
,
Gerlach, C.; Smolinski, M.; Steuber, H.; Sotriffer, C.A.; Heine, A.; Hangauer, D.G.; Klebe, G.;
Angew Chem Int Ed Engl.
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Czodrowski, P.; Sotriffer, C.A.; Klebe, G.;
J Chem Inf Model.
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Gerlach, C.; Münzel, M.; Baum, B.; Gerber, H.D.; Craan, T.; Diederich, W.E.; Klebe, G.;
Angew Chem Int Ed Engl.
47
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Azim-Zadeh, O.; Hillebrecht, A.; Linne, U.; Marahiel, M.A.; Klebe, G.; Lingelbach, K.; Nyalwidhe, J.;
J Biol Chem.
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Czodrowski, P.; Sotriffer, C.A.; Klebe, G.;
J Mol Biol.
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Zentgraf, M.; Steuber, H.; Koch, C.; Motta, L.a.C.; Sartini, S.; Sotriffer, C.A.; Klebe, G.;
Angew Chem Int Ed Engl.
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Stengl, B.; Meyer, E.A.; Heine, A.; Brenk, R.; Diederich, F.; Klebe, G.;
J Mol Biol.
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Tidten, N.; Stengl, B.; Heine, A.; Garcia, G.A.; Klebe, G.; Reuter, K.;
J Mol Biol.
3
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Steuber, H.; Czodrowski, P.; Sotriffer, C.A.; Klebe, G.;
J Mol Biol.
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Steuber, H.; Zentgraf, M.; Motta, L.a.C.; Sartini, S.; Heine, A.; Klebe, G.;
J Mol Biol.
1
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Fenza, D.i.A.; Heine, A.; Koert, U.; Klebe, G.;
ChemMedChem.
3
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, 297-308
Kuhn, D.; Weskamp, N.; Hüllermeier, E.; Klebe, G.;
ChemMedChem.
10
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, 1432-47
Weskamp, N.; Hüllermeier, E.; Kuhn, D.; Klebe, G.;
IEEE/ACM Trans Comput Biol Bioinform.
2
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Block, P.; Weskamp, N.; Wolf, A.; Klebe, G.;
Proteins.
1
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Steuber, H.; Heine, A.; Klebe, G.;
J Mol Biol.
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Klebe,G.;
Supramolecular Structure and Function - Virtual Ligand Screening: A Method to Discover New Drug Leads In “Supramolecular Structure and Function”
Springer
0
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(book)
Klebe,G.; Stengl,B.;
Supramolecular Structure and Function - Novel Leads for Selective Antibiotics against Shigellosis by Virtual Screening, Crystallography and Synthesis
Springer
0
,
(book)
Seitenanfang
2006
Weskamp,N.; ,Klebe,G.;Hüllermeyer,E.;
Wissensentdeckung in strukturbasierten Daten: Graph Alignment zur Analyse von Proteinstrukturen
Magdeburger Wissenschaftsjournal
1
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Grimm, C.; Ficner, R.; Sgraja, T.; Haebel, P.; Klebe, G.; Reuter, K.;
Biochem Biophys Res Commun.
3
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Hillebrecht, A.; Supuran, C.T.; Klebe, G.;
ChemMedChem.
8
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Kuhn, D.; Weskamp, N.; Schmitt, S.; Hüllermeier, E.; Klebe, G.;
J Mol Biol.
4
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Block, P.; Paern, J.; Hüllermeier, E.; Sanschagrin, P.; Sotriffer, C.A.; Klebe, G.;
Proteins.
3
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Czodrowski, P.; Dramburg, I.; Sotriffer, C.A.; Klebe, G.;
Proteins.
2
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Fokkens, J.; Klebe, G.;
Angew Chem Int Ed Engl.
6
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Steuber, H.; Zentgraf, M.; Gerlach, C.; Sotriffer, C.A.; Heine, A.; Klebe, G.;
J Mol Biol.
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Steuber, H.; Zentgraf, M.; Podjarny, A.; Heine, A.; Klebe, G.;
J Mol Biol.
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Block, P.; Sotriffer, C.A.; Dramburg, I.; Klebe, G.;
Nucleic Acids Res.
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Weik, S.; Luksch, T.; Evers, A.; Böttcher, J.; Sotriffer, C.A.; Hasilik, A.; Löffler, H.G.; Klebe, G.; Rademann, J.;
ChemMedChem.
4
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Al-Gharabli, S.I.; Shah, S.T.; Weik, S.; Schmidt, M.F.; Mesters, J.R.; Kuhn, D.; Klebe, G.; Hilgenfeld, R.; Rademann, J.;
Chembiochem.
7
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Specker, E.; Böttcher, J.; Brass, S.; Heine, A.; Lilie, H.; Schoop, A.; Müller, G.; Griebenow, N.; Klebe, G.;
ChemMedChem.
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Weber, A.; Böhm, M.; Supuran, C.T.; Scozzafava, A.; Sotriffer, C.A.; Klebe, G.;
J Chem Inf Model.
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Peifer, C.; Stoiber, T.; Unger, E.; Totzke, F.; Schächtele, C.; Brenk, R.; Klebe, G.; Schollmeyer, D.; Dannhardt, G.;
J Med Chem.
4
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Meyer, E. A.; Donati, N.; Guillot, M.; Schweizer, B.; Diederich, F.; Stengl, B.; Brenk, R.; Reuter, K.; Klebe, G.
Helv Chim Acta
89
, 573-597
Brenk,R.; Klebe,G.;
Methods and Principles in Medicinal Chemistry-“Hot Spot” Analysis of Protein-binding Sites as a Prerequisite for Structure-based Virtual Screening and Lead Optimization in Pharmacophores and Pharmacophore Searches
Mannhold, R. / Kubinyi, H. / Folkers
0
,
(book)
Klebe,G.;
Drug Discovery Today
11
, 580-594
(review)
Seitenanfang
2005
Petrova, T.; Steuber, H.; Hazemann, I.; Cousido-Siah, A.; Mitschler, A.; Chung, R.; O.k.a.M.; Klebe, G.; El-Kabbani, O.; Joachimiak, A.; Podjarny, A.;
J Med Chem.
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Schiffmann, R.; Heine, A.; Klebe, G.; Klein, C.D.;
Angew Chem Int Ed Engl.
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Koch, O.; Bocola, M.; Klebe, G.;
Proteins.
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Velec, H.F.; Gohlke, H.; Klebe, G.;
J Med Chem.
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Specker, E.; Böttcher, J.; Heine, A.; Sotriffer, C.A.; Lilie, H.; Schoop, A.; Müller, G.; Griebenow, N.; Klebe, G.;
J Med Chem.
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Specker, E.; Böttcher, J.; Lilie, H.; Heine, A.; Schoop, A.; Müller, G.; Griebenow, N.; Klebe, G.;
Angew Chem Int Ed Engl.
20
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Stengl, B.; Reuter, K.; Klebe, G.;
Chembiochem.
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Silber, K.; Heidler, P.; Kurz, T.; Klebe, G.;
J Med Chem.
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Werner, C.; Stubbs, M.T.; Krauth-Siegel, R.L.; Klebe, G.;
J Mol Biol.
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2004
Weskamp, N.; Kuhn, D.; Hüllermeier, E.; Klebe, G.;
Bioinformatics.
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Kupas, K.; Ultsch, A.; Klebe, G.;
J Comput Aided Mol Des.
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Sgraja, T.; Ulschmid, J.; Becker, K.; Schneuwly, S.; Klebe, G.; Reuter, K.; Heine, A.;
J Mol Biol.
5
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Ferrara, P.; Gohlke, H.; Price, D.J.; Klebe, G.; Brooks, C.L.3.r.d.;
J Med Chem.
12
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Evers, A.; Klebe, G.;
J Med Chem.
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Wiesner, J.; Kettler, K.; Sakowski, J.; Ortmann, R.; Katzin, A.M.; Kimura, E.A.; Silber, K.; Klebe, G.; Jomaa, H.; Schlitzer, M.;
Angew Chem Int Ed Engl.
2
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Evers, A.; Klebe, G.;
Angew Chem Int Ed Engl.
2
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Sotriffer, C.A.; Krämer, O.; Klebe, G.;
Proteins.
1
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Brenk, R.; Meyer, E.A.; Reuter, K.; Stubbs, M.T.; Garcia, G.A.; Diederich, F.; Klebe, G.;
J Mol Biol.
1
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Rauh, D.; Klebe, G.; Stubbs, M.T.;
J Mol Biol.
5
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Kraemer, O.; Hazemann, I.; Podjarny, A.D.; Klebe, G.;
Proteins.
4
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Weskamp, N.; Hüllermeier, E.; Kuhn, D.; Klebe, G.;
Graph Alignments: A New Concept to Detect Conserved Regions in Protein Active Sites
Robert Giegerich, Jens Stoye (eds.) Proceedings of the German Conference on Bioinformatics 2004
0
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Weber, A.; Casini, A.; Heine, A.; Kuhn, D.; Supuran, C. T.; Scozzafava, Klebe, G.
J. Med. Chem.
47
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Meyer, E. A.; Furler, M.; Diederich, F.; Brenk, R.; Klebe, G.
Helv. Chim. Acta
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Klebe,G.;
In Supramolecular Structure and Function - Differences in Binding of Stereoisomers to Protein Active Sites
Kluwer Academic/Plenum Pub., New York, U.S.A.
0
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(book)
Klebe,G.;
In Virtual Screening in Drug Discovery- Virtual Screening: Scope and Limitations
CRC Press, Boca Raton, FL, USA
0
,
(book)
Klebe,G.;
Chemoinformatics, Eds. J. Gasteiger and T. Engel- From Structural Genomics to Drug Design: Knowledge Discovery in Crystallographic Databases to Assist Lead Discovery and Optimization
Wiley-VCH
0
,
(book)
Sotriffer, C.A.;Klebe, G.;
Chemoinformatics, Eds. J. Gasteiger and T. Engel, Vol. 4, The Docking Problem
Wiley-VCH
0
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(book)
Klebe,G.;
Drug Discov. Today
3
, 225-230
(review)
Klebe,G.;
New Leads out of the Computer
Screening - Trends in Drug Discovery
5
, 18-20
(review)
Klebe,G.;
Neue Leitstrukturen aus dem Computer
Biospektrum
3
, 266-268
(review)
Antel,J.; Weber,A.; Sotriffer, C.A.; Klebe,G.;
Multiple binding modes observed in X-ray structures of carbonic anhydrase-inhibitor complexes and elsewhere: Consequences for Structure-Based Drug Design, in Carbonic Anhydrase: Its Inhibitors and Activators
J. Conway crc Enzyme Inhibitors Sieries, CRC Press
0
, 45-65
(review)
Klebe,G.; Krämer, O. ; Sotriffer,C;
Cell. Mol. Life Sci.
61
, 783-793
(review)
Stubbs, MT; Klebe, G.;
Das Nadelöhr – Von der Forschung zur Entwicklung
Die Pharmazeutische Industrie: Einblick, Durchblick, Perspektive
0
, 35-64
(review)
Diederich,W.; Heine,A.; Haebel,P.; Reuter,K.; Sotriffer,C.;Klebe,G.;
Struktur-basierte Arzneistoffsuche und Synthese: neue Konzepte schneller ans Ziel zu kommen
Laborpraxis
11
, 24-26
(review)
Seitenanfang
2003
Evers, A.; Gohlke, H.; Klebe, G.;
J Mol Biol.
2
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Boström, J.; Böhm, M.; Gundertofte, K.; Klebe, G.;
J Chem Inf Comput Sci.
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Kettler, K.; Sakowski, J.; Silber, K.; Sattler, I.; Klebe, G.; Schlitzer, M.;
Bioorg Med Chem.
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Rauh, D.; Klebe, G.; Stürzebecher, J.; Stubbs, M.T.;
J Mol Biol.
4
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Grimm, C.; Evers, A.; Brock, M.; Maerker, C.; Klebe, G.; Buckel, W.; Reuter, K.;
J Mol Biol.
3
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Kittendorf, J.D.; Sgraja, T.; Reuter, K.; Klebe, G.; Garcia, G.A.;
J Biol Chem.
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Brenk, R.; Stubbs, M.T.; Heine, A.; Reuter, K.; Klebe, G.;
Chembiochem.
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Bocola, M.; Stubbs, M.T.; Sotriffer, C.; Hauer, B.; Friedrich, T.; Dittrich, K.; Klebe, G.;
Protein Eng.
5
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Brenk, R.; Naerum, L.; Grädler, U.; Gerber, H.D.; Garcia, G.A.; Reuter, K.; Stubbs, M.T.; Klebe, G.;
J Med Chem.
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Günther, J.; Bergner, A.; Hendlich, M.; Klebe, G.;
J Mol Biol.
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Hendlich, M.; Bergner, A.; Günther, J.; Klebe, G.;
J Mol Biol.
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Reyda, S.; Sohn, C.; Klebe, G.; Rall, K.; Ullmann, D.; Jakubke, H.D.; Stubbs, M.T.;
J Mol Biol.
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Brenk, R.; Gerber, H.D.; Kittendorf, J.; Garcia, G. A.; Reuter, K.; Klebe, G.
Helv. Chim. Acta
86
, 1435-1452
Klebe,G.;
Neue Leitstrukturen für die Arzneimittelentwicklung aus dem Computer
Bioforum
10
, 614-6
(review)
Sotriffer, C.A.;Klebe, G.; Stahl, M.; Böhm HJ
Burger's Medicinal Chemistry and Drug Discovery, Vol. 1,-Docking and Scoring Functions / Virtual Screening
Wiley,
0
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(review)
Seitenanfang
2002
Jung, T.; Kamm, W.; Breitenbach, A.; Klebe, G.; Kissel, T.;
Pharm Res.
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Sotriffer, C.A.; Gohlke, H.; Klebe, G.;
J. Med. Chem.
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Schmitt, S.; Kuhn, D.; Klebe, G.;
J Mol Biol.
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Gohlke, H.; Klebe, G.;
J Med Chem.
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Grüneberg, S.; Stubbs, M.T.; Klebe, G.;
J Med Chem.
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Rauh, D.; Reyda, S.; Klebe, G.; Stubbs, M.T.;
Biol Chem.
7
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Gohlke, H.; Klebe, G.;
Angew Chem Int Ed Engl.
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Reuter, K.; Sanderbrand, S.; Jomaa, H.; Wiesner, J.; Steinbrecher, I.; Beck, E.; Hintz, M.; Klebe, G.; Stubbs, M.T.;
J Biol Chem.
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Meyer, E.A.; Brenk, R.; Castellano, R.K.; Furler, M.; Klebe, G.; Diederich, F.;
Chembiochem.
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Abbate, F.; Supuran, C.T.; Scozzafava, A.; Orioli, P.; Stubbs, M.T.; Klebe, G.;
J Med Chem.
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Böhm, M.; Klebe, G.;
J Med Chem.
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Stubbs, M.T.; Reyda, S.; Dullweber, F.; Möller, M.; Klebe, G.; Dorsch, D.; Mederski, W.W.; Wurziger, H.;
Chembiochem.
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Klebe,G.;
From Genes to Drugs via Crystallography Ed. N. Borkakoti, Erice Crystallogr. Publ. - Structural and Energetic Aspects of Protein-Ligand Binding in Drug Design
0
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(book)
Klebe,G.;
Small Molecule-Protein Interaction- Schering Foundation in Ernst Schering Research Foundation Workshop 42-From Structure to Recognition Principles: Mining in Crystal Data as a Prerequiste for Drug Design
Springer Verl.
0
,
(book)
Klebe,G.;
Handbook of Experimental Pharmacology, Stereochemical Aspects of Drug Action and Disposition-Binding Differences of Stereoisomers at Protein Binding Sites
Springer Verlag, Heidelberg
0
,
(book)
Klebe,G.;
Innovative lead discovery: From geometry to function and ligand design
Curr. Drug Discovery
7
, 27-30
(review)
Sotriffer, C.A.;Klebe, G.;
Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design
IL Farmaco
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(review)
Seitenanfang
2001
Grüneberg, S.; Wendt, B.; Klebe, G.;
Angew Chem Int Ed Engl.
2
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Bergner, A.; Günther, J.; Hendlich, M.; Klebe, G.; Verdonk, M.;
Biopolymers.
2
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Dullweber, F.; Stubbs, M.T.; Musil, D.; Stürzebecher, J.; Klebe, G.;
J Mol Biol.
3
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Kamm, W.; Hauptmann, J.; Behrens, I.; Stürzebecher, J.; Dullweber, F.; Gohlke, H.; Stubbs, M.; Klebe, G.; Kissel, T.;
Pharm Res.
8
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Schafferhans, A.; Klebe, G.;
J Mol Biol.
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Gohlke, H.; Klebe, G.;
Curr Opin Struct Biol.
2
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, 231-5
Grädler, U.; Gerber, H.D.; Goodenough-Lashua, D.M.; Garcia, G.A.; Ficner, R.; Reuter, K.; Stubbs, M.T.; Klebe, G.;
J Mol Biol.
3
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Schmitt, S.; Hendlich, M.; Klebe, G.
Angew. Chem. Int. Ed.
40
, 3141-3144
Kraemer, O; Böhm, M.;Schlitzer, M.; Klebe, G.;
Rational Approaches to Drug Design- 3D QSAR Analysis in Case of a Flexible Protein: CoMSIA Model for a Series of Aldose Reductase Inhibitors with Various Binding Modes
Prous Sci
0
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(book)
Gohlke,H.; Dullweber,F.; Kamm,W.; März,J.; Kissel,T.; Klebe, G.;
Rational Approaches to Drug Design-Prediction of Human Intestinal Absorption Using a Combined “Simulated Annealing/Backpropagation Neural Network” Approach
Prous Sci
0
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(book)
Nissink,JWM; Verdonk,ML; Klebe, G.;
Rational Approaches to Drug Design-Knowledge-based Descriptors to Predict Protein-Ligand Interactions
Prous Sci
0
,
(book)
Schmitt, S.; Hendlich,M.; Klebe, G.;
Rational Approaches to Drug Design-Development of a Database for Protein Cavities and its Usage for Similarity Searches in Binding Sites
Prous Sci
0
,
(book)
Stahl,M.; Rarey, M.;Klebe,G.;
Methods and Principles in Medicinal Chemistry, From Genomics to Drugs”, Ed. T. Lengauer,Vol 14- Screening of Drug Databases
Wiley-VCH, Weinheim
0
,
(book)
Stahl,M.; Rarey, M.;Klebe,G.;
Thermodynamics of Drug-Receptor Interactions,Ed. R. Raffa - Thermodynamic Models of Drug-Receptor Interactions: A General Introduction
John Wiley & Sons, New York
0
,
(book)
Klebe,G.;
Pharm.u.Zeit
0
, 55-76
(review)
Seitenanfang
2000
Escherich, A.; Lutz, J.; Escrieut, C.; Fourmy, D.; Neuren, v.a.n.A.S.; Möller, G.; Schafferhans, A.; Klebe, G.; Moroder, L.;
Biopolymers.
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Grimm, C.; Maser, E.; Möbus, E.; Klebe, G.; Reuter, K.; Ficner, R.;
J Biol Chem.
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Nissink, J.W.M.; Verdonk, M.L.; Klebe, G.;
J Comput Aided Mol Des.
8
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Grimm, C.; Klebe, G.; Ficner, R.; Reuter, K.;
Acta Crystallogr D Biol Crystallogr.
0
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Gohlke, H.; Hendlich, M.; Klebe, G.;
J Mol Biol.
2
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Calderone, V.; Chevrier, B.; Zandt, V.a.n.M.; Lamour, V.; Howard, E.; Poterszman, A.; Barth, P.; Mitschler, A.; L.u.J.; Dvornik, D.M.; Klebe, G.; Kraemer, O.; Moorman, A.R.; Moras, D.; Podjarny, A.;
Acta Crystallogr D Biol Crystallogr.
0
, 536-40
Gohlke, H.; Hendlich, M.; Klebe, G.
Persp. Drug Discov. Design
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Klebe,G.; Grädler,U.; Grüneberg,S.; Krämer,O.; Gohlke,H.;
Virtual Screening for Bioactive Molecules, Eds. H.J. Böhm, S. Schneider- Understanding Receptor-Ligand Interactions as a Prerequisite for Virtual Screening
Wiley-VCH, Weinheim
0
,
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Klebe,G.;
Virtual Screening: An Alternative or Complement to High Throughput Screening?
Editor, Kluwer Academic Publ.
0
,
(book)
Dullweber,F.; Sevenich,FW;Klebe,G.;
Molecular Modelling and Prediction of Bioactivity-Ed. K. Gundertofte and F. Jorgensen- Determination of Accurate Thermodynamics of Binding for Proteinase-Inhibitor Interactions
KLUWER Academic /Plenum Publ., New York
0
,
(book)
Klebe,G.; Böhm,M.; Dullweber,F.; Grädler,U.; Gohlke,H.; Hendlich,M.;
Molecular Modelling and Prediction of Bioactivity-Ed. K. Gundertofte and F. Jorgensen- Structural and Energetic Aspects of Protein-Ligand Binding in Drug Design
KLUWER Academic /Plenum Publ., New York
0
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Klebe,G.;
J. Mol. Med.
0
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(review)
Seitenanfang
1999
Grädler, U.; Ficner, R.; Garcia, G.A.; Stubbs, M.T.; Klebe, G.; Reuter, K.;
FEBS Lett.
1
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Nielsen, J.E.; Andersen, K.V.; Honig, B.; Hooft, R.W.; Klebe, G.; Vriend, G.; Wade, R.C.;
Protein Eng.
8
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, 657-62
Neuren, v.a.n.A.S.; Müller, G.; Klebe, G.; Moroder, L.;
J Recept Signal Transduct Res.
1
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Böhm, M.; Stürzebecher,J.; Klebe, G.;
J Med Chem.
3
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Klebe, G.; Mietzner, T.; Weber, F.;
J Comput Aided Mol Des.
1
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, 35-49
Klebe, G.; Abraham, U.;
J Comput Aided Mol Des.
1
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, 1-10
Hoegl,L.; Korting,HC; Klebe,G;
Inhibitors of Aspartic Proteases in Human Diseases: Molecular Modeling Comes of Age
Die Pharmazie
54
, 319-330
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Seitenanfang
1998
Lemmen, C.; Lengauer, T.; Klebe, G.;
J Med Chem.
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Klebe, G.;
Recent Trends in Molecular Recognition-Eds. F. Diederich, H. Künzer- New Tools for Drug Design Based on Protein Ligand Recognition Principles
Springer Verl. Berlin, Heidelberg, New York
0
,
(book)
Klebe, G.;
Rational Molecular Design in Drug Research, Alfred Benzon Symposium, No. 42-Eds. -Eds. T. Lilijefors, F.S. Jorgensen, P. Krogsgaard-Larsen- Molecular Similarity - A Guideline for the Design of New Protein Ligands
Munksgaard Publ.
0
,
(book)
Klebe, G.;
Crystallographic Database Knowledge: Starting Point for New Computer Tools in Drug Design
Periodicum Biologorum
0
, 85-91
(review)
Klebe, G.;
Comparative Molecular Similarity Indices Analysis - CoMSIA
Persp. Drug Discov. Design
12
, 87-104
(review)
Klebe, G.; Böhm,H.J.;
Periodicum Biologorum
100
, 77-83
(review)
Klebe, G.;
Success Stories in Structure-based Drug Design
Periodicum Biologorum
100
, 93-98
(review)
Seitenanfang
1997
Erk,P.; hünig,S.; Klebe,G.;Metzenthin,T.; Werner,HP; v.Schütz,JU.;
2,3-Disubstituted 1,4-Benzoquinones and their N,N-Dicyanimines: Syntheses, Physical Properties, and CT Complexes with TTF
Liebigs Ann./Recuiel
0
, 1235-43
Klebe, G.; Böhm, H.J.;
J Recept Signal Transduct Res.
1
(17)
, 459-73
Nissink, J.W.M.; Verdonk, M.L.; Kroon,J.;Klebe, G.; Mietzner,T.;
Superposition of Molecules. Electron Density Fitting by Application of Fourier Transforms
J. Comput. Chem.
18
, 638-645
Seitenanfang
1996
Klebe, G.;Hädicke,E.; Böhm KH.; Reuther,W.; Hickmann,E.;
Die Molekül- und Kristallstruktur der Kupfer-, Aluminium- und Kaliumkomplexe des Cyclohexyl-hydroxy-diazeniumoxids.
Z. Krist.
211
, 798-803
Böhm,HJ.; brode,S.; Hesse,U.; Klebe,G.;
Oxygen and Nitrogen in Competitive Situations: Which Is The Hydrogen-Bond Acceptor?
Chem. Eur. J.
2
, 1509-13
Barnickel,G.; Gasteiger,J.; Klebe,G.;Levy,P.; Zell,A.;
Neue Leitstrukturen aus dem Computer
Nachr. Chem. Tech. Lab.
44
, 863-72
Rarey, M.; Kramer, B.; Lengauer, T.; Klebe, G.;
J Mol Biol.
3
(261)
, 470-89
Böhm,HJ.; Klebe,G.; Kubinyi,H.;
Wirkstoffdesign - Der Weg zum Arzneimittel
Spektrum - Akademischer Verlag
0
,
(book)
Böhm,HJ.; Klebe,G.;
What Can We Learn From Molecular Recognition in Protein-Ligand Complexes for the Design of New Drugs?
Angew. Chem. Int. Ed. Engl.
35
, 2588-2614
(review)
Seitenanfang
1995
Brana, M.F.; Castellano, J.M.; Moran, M.; Emling, F.; Kluge, M.; Schlick, E.; Klebe, G.; Walker, N.;
Arzneimittelforschung.
12
(45)
, 1311-8
Steiner,G.; Munschauer,R.; Klebe,G.; Siggel,L:;
Diastereoselective Synthesis of Exo-6-aryl-3-aza-bicyclo[3.2.0]heptane Derivatives by intramolecular [2+2]-Photocycloaddition of Diallylic Amines
Heterocycles
40
, 319-330
Klebe, G.;
Toward a More Efficient Handling of Conformational Flexibility in Computer-Assisted Modelling of Drug Molecules
Persp. Drug Discov. and Design
3
, 85-105
(review)
Seitenanfang
1994
Klebe, G.; Abraham, U.; Mietzner, T.;
J Med Chem.
24
(37)
, 4130-46
Klebe, G.; Mietzner, T.; Weber, F.;
J Comput Aided Mol Des.
6
(8)
, 751-78
Sadowski,J.;Gasteiger,J.; Klebe,G.;
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
J. Chem. Inf. Comput. Sci
34
, 1000-8
Klebe, G.; Mietzner, T.;
J Comput Aided Mol Des.
5
(8)
, 583-606
Klebe, G.;
J Mol Biol.
2
(237)
, 212-35
Klebe, G.;
Mapping Common Molecular Fragments in Crystal Structures to Explore Conformation and Configuration Space under the Conditions of a Molecular Environment
J. Mol. Struct. (Theochem)
308
, 53-89
Klebe, G.;Weber,F.;
Description of Coordination Geometry in Tetrahedral Metal Complexes by Symmetry Deformation Coordinates
Acta Crystallogr. Sect. B.
0
, 50-9
Klebe, G.; Mietzner,T.;
Correlations, Transformations and Interactions in Organic Crystal Chemistry- Ed. D.W. Jones and A. Katrusiak, IUCr Crystallographic Symposia 7-Correlation of Crystal Data to Analyze and Predict Ligand/Receptor Interactions
Oxford Science Publ
0
,
(book)
Klebe, G.;
Structure Correlation- Ed. H.B. Bürgi und J.D. Dunitz-Structure Correlation and Ligand/Receptor Interactions
VCH
0
,
(book)
Seitenanfang
1993
Klebe, G.; Diederich,F.;
A Comparison of the Crystal Packing in Benzene with the Geometry Seen in Crystalline Cyclophane-Benzene Complexes: Guidelines for Rational Receptor Design
Phil. Trans. Royal Soc. London A
345
, 37-48
Klebe, G.; Abraham, U.;
J Med Chem.
1
(36)
, 70-80
Klebe, G.;
3D-QSAR and Drug Design- Ed. H. Kubinyi - Structural Alignment of Molecules
0
,
(book)
Seitenanfang