Poster Presentations


Virtual Screening of Chemical Databases against GPCR Homology Models



Caterina Bissantz

ETH Zürich - Switzerland

(View or download abstract: Postscript, PDF)

Docking into flexible Protein Structures



Holger Claussen

GMD - Germany

(View or download abstract: Postscript, PDF)

Making Lead Discovery less complex ?



Dr. Mike Hann

Glaxo Wellcome - UK

(View or download abstract: Postscript, PDF)

a) Prediction of ADME properties

b) A new concept for selction of ligand conformations (MultiSelect) and prediction of protein-ligand affinities (MultiScore)



Dr. Flemming S. Jorgensen & Dr. I.T. Christensen

Royal Danish School of Pharmacy - Denmark

( a) View or download abstract: Postscript, PDF)

( b) View or download abstract: Postscript, PDF)

Prediction of pKa-values by QPPR using neural networks



Thomas Kleinoeder

CCC, Universität Erlangen-Nürnberg - Germany

(View or download abstract: Postscript, PDF)

Prediction of drug binding to human serum albumin



Dr. Nicole Kratochwil

Roche - Switzerland

(View or download abstract: Postscript, PDF)

Free-Wilson Approach for ADMET



Dr. Alanas Petrauskas

Lithuania

(View or download abstract: Postscript, PDF)

Docking to a polar active site - the crystal water challenge



Pavel Pospisil

ETH Zürich - Switzerland

(View or download abstract: Postscript, PDF)

Similarity searching in large combinatorial chemistry spaces



Dr. Matthias Rarey

GMD - Germany

(View or download abstract: Postscript, PDF)

Toxicity models based on cyto-toxicity data



Dr. Jens Sadowski

Astra-Zeneca R&D - Sweden

(View or download abstract: Postscript, PDF)

Modeling of Hydrophobic Interactions in Computational Ligand Screening: A Template Approach



Paul Sanschagrin

Michigan State University - USA

(View or download abstract: Postscript, PDF)

Web based prediction of drug transport properties



Dr. Paul Selzer

Novartis Pharma - Switzerland

(View or download abstract: Postscript, PDF)

Modelling affinity to cancer cells, for the purpose of selective drug delivery



Dr. Kristin Toendel

Norwegian University of Science and Technology - Norway

(View or download abstract: Postscript, PDF)

Realistic modeling of Polar Interactions in Ligand Screening



Dr. Maria Zavodsky

Michigan State University - USA

(View or download abstract: Postscript, PDF)