Contents

Current Computer-Aided Drug Design, Volume 4 - Number 3

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

, 4(3): 154 - 155

Bruno O. Villoutreix


DOI: 10.2174/157340908785747429




Collections of Compounds – How to Deal with them?

, 4(3): 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

, 4(3): 169 - 179

Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva and Emil Alexov


DOI: 10.2174/157340908785747393




Ligand-Based Approaches in Virtual Screening

, 4(3): 180 - 190

Dominique Douguet


DOI: 10.2174/157340908785747456




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

, 4(3): 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

, 4(3): 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?

, 4(3): 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

, 4(3): 221 - 234

Claudio N. Cavasotto and Narender Singh


DOI: 10.2174/157340908785747474




Docking and Biomolecular Simulations on Computer Grids: Status and Trends

, 4(3): 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

, 4(3): 250 - 258

Olivier Sperandio, Maria A. Miteva and Bruno O. Villoutreix


DOI: 10.2174/157340908785747447




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