Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Editorial [Hot Topic: Virtual Screening (Guest Editor: Bruno O. Villoutreix) ] promotion: free to download

Volume:4   Issue: 3
Pp: 154-155
Bruno O. Villoutreix
DOI: 10.2174/157340908785747429

Collections of Compounds – How to Deal with them?

Volume:4   Issue: 3
Pp: 156-168
Julie Dubois, Stephane Bourg, Christel Vrain and Luc Morin-Allory
DOI: 10.2174/157340908785747410

Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions

Volume:4   Issue: 3
Pp: 169-179
Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva and Emil Alexov
DOI: 10.2174/157340908785747393

Ligand-Based Approaches in Virtual Screening

Volume:4   Issue: 3
Pp: 180-190
Dominique Douguet
DOI: 10.2174/157340908785747456

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

Volume:4   Issue: 3
Pp: 191-198
Alexandre Varnek, Denis Fourches, Dragos Horvath, Olga Klimchuk, Cedric Gaudin, Philippe Vayer, Vitaly Solov'ev, Frank Hoonakker, Igor V. Tetko and Gilles Marcou
DOI: 10.2174/157340908785747465

Pharmacophores of 5-HT4 Receptor Ligands: Experience of CERMN and Implications for Drug Design

Volume:4   Issue: 3
Pp: 199-208
Ronan Bureau, Thibault Varin, Alban Lepailleur, Cyril Daveu, Stephane Lemaitre, Jean-Charles Lancelot, Aurelien Lesnard, Sabrina Butt-Gueulle, Francois Dauphin and Sylvain Rault
DOI: 10.2174/157340908785747384

How to Measure the Similarity Between Protein Ligand-Binding Sites?

Volume:4   Issue: 3
Pp: 209-220
Esther Kellenberger, Claire Schalon and Didier Rognan
DOI: 10.2174/157340908785747401

Docking and High Throughput Docking: Successes and the Challenge of Protein Flexibility

Volume:4   Issue: 3
Pp: 221-234
Claudio N. Cavasotto and Narender Singh
DOI: 10.2174/157340908785747474

Docking and Biomolecular Simulations on Computer Grids: Status and Trends

Volume:4   Issue: 3
Pp: 235-249
Alexandru-Adrian Tantar, Sebastien Conilleau, Benjamin Parent, Nouredine Melab, Lorraine Brillet, Sylvaine Roy, El-Ghazali Talbi and Dragos Horvath
DOI: 10.2174/157340908785747438

Combining Ligand- and Structure-Based Methods in Drug Design Projects

Volume:4   Issue: 3
Pp: 250-258
Olivier Sperandio, Maria A. Miteva and Bruno O. Villoutreix
DOI: 10.2174/157340908785747447