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
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In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research
Most Cited Articles
Research Article
In silico molecular modelling of selected natural ligands and their binding features with estrogen receptor alpha
, 2019; 15(1): 89-96.V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky
DOI: 10.2174/1573409914666181008165356
Research Article
In silico computations of selective phytochemicals as potential inhibitors against major biological targets of diabetes mellitus
, 2019; 15(5): 401-408.Ammara Akhtar, Anam Amir, Waqar Hussain, Abdul Ghaffar and Nouman Rasool*
DOI: 10.2174/1573409915666190130164923
Research Article
In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative
, 2019; 15(5): 445-455.Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale
DOI: 10.2174/1573409915666190206142756
Research Article
Theoretical studies on the selectivity mechanisms of glycogen synthase kinase 3β (GSK3β) with pyrazine ATP-competitive inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation and free energy calculations
, 2020; 16(1): 17-30.Jingyu Zhu*, Yuanqing Wu, Lei Xu and Jian Jin*
DOI: 10.2174/1573409915666190708102459
Research Article
Indexing natural products for their antifungal activity by filters-based approach: Disclosure of discriminative properties
, 2019; 15(3): 235-242.Mahmoud Rayan*, Ziyad Abdallah, Saleh Abu-Lafi, Mahmud Masalha and Anwar Rayan*
DOI: 10.2174/1573409914666181017100532
Research Article
Quality by design approach for development and characterisation of solid lipid nanoparticles of quetiapine fumarate
, 2020; 16(1): 73-91.Shweta Agarwal*, Rayasa S. Ramachandra Murthy, Sasidharan Leelakumari Harikumar and Rajeev Garg
DOI: 10.2174/1573409915666190722122827
Research Article
3d-qsar and molecular docking studies on design anti-prostate cancer curcumin analogues
, 2020; 16(3): 245-256.Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai
DOI: 10.2174/1573409914666181029123746
Research Article
Synthesis, antibacterial activity and molecular docking of phospholidinones in stigmastane series
, 2019; 15(3): 259-264.Azhar U. Khan, Mahboob Alam*, Soonheum Park, Poonam Dwivedi, Sunil K. Sharma and Sapna Jain
DOI: 10.2174/1573409914666181029122448
Research Article
A novel amino acid sequence-based computational approach to predicting cell-penetrating peptides
, 2019; 15(3): 206-211.Jihui Tang*, Jie Ning , Xiaoyan Liu , Baoming Wu and Rongfeng Hu *
DOI: 10.2174/1573409914666180925100355
Research Article
Evaluation of chemotherapeutic activity of the selected bases’ analogues of nucleic acids supported by ab initio various quantum chemical calculations
, 2020; 16(2): 93-103.Piotr Kawczak*, Leszek Bober and Tomasz Bączek
DOI: 10.2174/1573409915666190206212024
Research Article
Combinatorial design of molecule using activity-linked substructural topological information as applied to antitubercular compounds
, 2019; 15(1): 67-81.Chandan Raychaudhury, Md. Imbesat Hassan Rizvi and Debnath Pal*
DOI: 10.2174/1573409914666180509152711
Editorial
Molecular descriptor landscape in the twenty first century and its proper use for computer-aided drug design
, 2019; 15(1): 1-2.Subhash C. Basak
DOI: 10.2174/157340991501181214103556
Research Article
Molecular docking analysis of caspase-3 activators as potential anticancer agents
, 2019; 15(1): 55-66.Sushil K. Kashaw*, Shivangi Agarwal, Mitali Mishra, Samaresh Sau and Arun K. Iyer
DOI: 10.2174/1573409914666181015150731
Review Article
The monte carlo method as a tool to build up predictive qspr/qsar
, 2020; 16(3): 197-206.Andrey A. Toropov* and Alla P. Toropova
DOI: 10.2174/1573409915666190328123112
Editorial
Parsimony principle and its proper use/ application in computer-assisted drug design and QSAR
, 2020; 16(1): 1-5.Subhash C. Basak and Marjan G. Vracko
DOI: 10.2174/157340991601200106122854
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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