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
In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research
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
Editor-in-Chief
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
University of Minnesota Duluth
Duluth, MN
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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