Current Computer-Aided Drug Design
Volume 16, 6 Issues, 2020
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
Ranking and Category
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54th of 61 in
Chemistry, Medicinal
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89th of 106 in
Computer Science, Interdisciplinary Applications
Contents
Current Computer-Aided Drug Design, Volume 4 - Number 3
Editorial [Hot Topic: Virtual Screening (Guest Editor: Bruno O. Villoutreix) ]
, 4(3): 154 - 155Bruno O. Villoutreix
DOI: 10.2174/157340908785747429
Collections of Compounds – How to Deal with them?
, 4(3): 156 - 168Julie 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 - 179Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva and Emil Alexov
DOI: 10.2174/157340908785747393
Ligand-Based Approaches in Virtual Screening
, 4(3): 180 - 190Dominique Douguet
DOI: 10.2174/157340908785747456
ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors
, 4(3): 191 - 198Alexandre 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 - 208Ronan 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 - 220Esther 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 - 234Claudio N. Cavasotto and Narender Singh
DOI: 10.2174/157340908785747474
Docking and Biomolecular Simulations on Computer Grids: Status and Trends
, 4(3): 235 - 249Alexandru-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 - 258Olivier Sperandio, Maria A. Miteva and Bruno O. Villoutreix
DOI: 10.2174/157340908785747447
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Editor-in-Chief
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA
Biography
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University of Minnesota Duluth
Duluth, MN
USA
Biography
Biography of Subhash C. Basak
Dr. Subhash C. Basak, a Senior Scientist and Adjunct Professor at the University of Minnesota Duluth, has more than 40 years of experience in mathematical /computational chemistry and computer aided drug design. His research areas include: Development of novel topological Indices; hierarchical quantitative structure-activity relationship (HiQSAR); quantitative molecular similarity analysis (QMSA); tailored QMSA; descriptors of DNA/ RNA sequences; mathematical proteomics; chirality indices of chemicals; differential QSAR; mathematical nanotoxicoproteomics. He holds a PhD in Biochemistry from the University of Calcutta. Dr. Basak has published 268 research articles and has co-edited two books: 1) Advances in Mathematical Chemistry and Applications (Elsevier & Bentham) and 2) Statistical and Machine Learning Approaches for Network Analysis (Wiley). He is a member of the International Academy of Mathematical Chemistry.
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Journal History
Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.
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