Current Computer-Aided Drug Design
Volume 17, 7 Issues, 2021
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 9 - Number 1
Editorial
Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly
, 9(1): 2 - 14Seema Bag, Rekha Tulsan, Abha Sood, Silpi Datta and Marianna Torok
DOI: 10.2174/1573409911309010002
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design
, 9(1): 15 - 34Jacopo Sgrignani and Alessandra Magistrato
DOI: 10.2174/1573409911309010003
Cycloxygenase-2 (COX-2) - A Potential Target for Screening of Small Molecules as Radiation Countermeasure Agents: An In Silico Study
, 9(1): 35 - 45Jayadev Joshi, Tapan K. Barik, Nitisha Shrivastava, Manali Dimri, Subhajit Ghosh, Rahul S. Mandal, Srinivasan Ramachandran and Indracanti P. Kumar
DOI: 10.2174/1573409911309010004
Efficacy Prediction of Jamu Formulations by PLS Modeling
, 9(1): 46 - 59Farit M. Afendi, Latifah K. Darusman, Aki Hirai Morita, Md. Altaf-Ul-Amin, Hiroki Takahashi, Kensuke Nakamura, Ken Tanaka and Shigehiko Kanaya
DOI: 10.2174/1573409911309010005
Structure-Based Development of Antagonists for Chemokine Receptor CXCR4
, 9(1): 60 - 75Chongqian Zhang, Tingjun Hou, Zhiwei Feng and Youyong Li
DOI: 10.2174/1573409911309010006
Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System
, 9(1): 76 - 82P.K. Krishnan Namboori, U.P. Ranjini, Asha A. Manakadan, Anila Jose, K.S. Silvipriya, N. Belzik and O.M. Deepak
DOI: 10.2174/1573409911309010007
Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software
, 9(1): 83 - 94Tania Pencheva, Dessislava Jereva, Maria A. Miteva and Ilza Pajeva
DOI: 10.2174/1573409911309010008
QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
, 9(1): 95 - 107Feng Luan, Xuan Xu, Maria Natalia Dias Soeiro Cordeiro, Huitao Liu and Xiaoyun Zhang
DOI: 10.2174/1573409911309010009
Biomedical Data Integration in Computational Drug Design and Bioinformatics
, 9(1): 108 - 117Jose A. Seoane, Vanessa Aguiar-Pulido, Cristian R. Munteanu, Daniel Rivero, Juan R. Rabunal, Julian Dorado and Alejandro Pazos
DOI: 10.2174/15734099112089990011
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines
, 9(1): 118 - 129Pathik S. Brahmkshatriya, Petr Dobes, Jindrich Fanfrlik, Jan Rezac, Kamil Paruch, Agnieszka Bronowska, Martin Lepsík and Pavel Hobza
DOI: 10.2174/1573409911309010011
Artificial Neural Networks Based on CODES Descriptors in Pharmacology: Identification of Novel Trypanocidal Drugs against Chagas Disease
, 9(1): 130 - 140Angela Guerra, Pedro Gonzalez-Naranjo, Nuria E. Campillo, Hugo Cerecetto, Mercedes Gonzalez and Juan A. Paez
DOI: 10.2174/1573409911309010012
QSAR Study of Curcumine Derivatives as HIV-1 Integrase Inhibitors
, 9(1): 141 - 150Pawan Gupta, Anju Sharma, Prabha Garg and Nilanjan Roy
DOI: 10.2174/1573409911309010013
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.
About the Journal
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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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