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
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
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
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
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
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
Vaxijen dataset of bacterial immunogens: An update
, 2019; 15(5): 398-400.Nevena Zaharieva, Ivawn Dimitrov, Darren R. Flower and Irini Doytchinova*
DOI: 10.2174/1573409915666190318121838
Research Article
Virtual screening strategy combined bayesian classification model, molecular docking for acetyl-coa carboxylases inhibitors
, 2019; 15(3): 193-205.Wei-Neng Zhou, Yan-Min Zhang, Xin Qiao, Jing Pan, Ling-Feng Yin, Lu Zhu, Jun-Nan Zhao, Shuai Lu, Tao Lu, Ya-Dong Chen* and Hai-Chun Liu *
DOI: 10.2174/1573409914666181109110030
Research Article
DFT-based QSAR modelling of inhibitory activity of coumarins and sulfocoumarins on carbonic anhydrase (CA) isoforms (CA I and CA II)
, 2019; 15(3): 243-251.Erol Eroglu*
DOI: 10.2174/1573409915666181211112828
Research Article
Comparative docking studies: A drug design tool for some pyrazine-thiazolidinone based derivatives for anti-HIV activity
, 2019; 15(3): 252-258.Kalyani Dhirendra Asgaonkar*, Shital Manoj Patil*, Trupti Sameer Chitre, Vaibhav Nanabhau Ghegade, Saurabh Radhaji Jadhav, Sajid Shaukat Sande and Atharva Sudhakar Kulkarni
DOI: 10.2174/1573409915666181219125944
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
Synthesis, anti-inflammatory activity and docking studies of some newer 1,3-thiazolidine-2,4-dione derivatives as dual inhibitors of PDE4 and PDE7
, 2019; 15(3): 225-234.Himanshu Sharma, Viney Lather*, Ajmer Singh Grewal and Deepti Pandita
DOI: 10.2174/1573409914666181003151528
Research Article
2D QSAR analysis of substituted quinoxalines for their antitubercular and antileptospiral activities
, 2019; 15(2): 182-192.Ramalakshmi Natarajan*, Ayarivan Puratchikody, Vignesh Muralidharan, Mukesh Doble* and Arunkumar Subramani
DOI: 10.2174/1573409914666181011145922
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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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