Current Computer-Aided Drug Design
Volume 15, 5 Issues, 2019
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
Beware of external validation!-a comparative study of several validation techniques used in qsar modelling
, 2018; 14(4): 284-291.Subhabrata Majumdar and Subhash C. Basak*
DOI: 10.2174/1573409914666180426144304
Research Article
Quantitative structure-activity relationship study of betulinic acid derivatives against HIV using SMILES-based descriptors
, 2018; 14(2): 152-159.Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat
DOI: 10.2174/1573409914666180112094156
Research Article
2d & 3d-qsar study on novel piperidine and piperazine derivatives as acetylcholinesterase enzyme inhibitors
, 2018; 14(4): 391-397.Maryam Nazari, Sayyed Abbas Tabatabai and Elham Rezaee*
DOI: 10.2174/1573409914666180726092800
Research Article
Finding novel anti-carcinomas compounds by targeting SFRP4 through molecular modeling, docking and dynamic simulation studies
, 2018; 14(2): 160-173.M. Hassan , M. Azhar, Q. Abbas, H. Raza, A.A. Moustafa, S. Shahzadi, Z. Ashraf* and S.Y. Seo*
DOI: 10.2174/1573409914666180112100122
Review Article
Quantitative structure-activity relationships of aquatic narcosis: A review
, 1 March 2018; 14(1): 7-28.Chandana Adhikari and Bijay kumar Mishra*
DOI: 10.2174/1573409913666170711130304
Research Article
Binding site and potency prediction of teixobactin and other lipid II ligands by statistical base scoring of conformational space maps
, 1 March 2018; 14(1): 29-34.Claudiu N. Lungu and Mircea V. Diudea*
DOI: 10.2174/1573409913666170927113813
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
Synthesis, in silico molecular docking and pharmacokinetic studies, in vitro antimycobacterial and antimicrobial studies of new imido-zolones clubbed with thiazolidinedione
, 2018; 14(4): 269-283.Imran. H. Khan, Navin B. Patel* and Vatsal M. Patel
DOI: 10.2174/1573409914666180516113552
Research Article
4D-QSAR studies using a new descriptor of the klopman index: Antibacterial activities of sulfone derivatives containing 1, 3, 4-oxadiazole moiety based on MCET model
, 2018; 14(3): 207-220.Yahya Guzel, Ertugrul Aslan, Burcin Turkmenoglu* and Ekrem Mesut Su
DOI: 10.2174/1573409914666180514093543
Research Article
Molecular modeling, docking, dynamics and simulation of gefitinib and its derivatives with EGFR in non-small cell lung cancer
, 2018; 14(3): 246-252.Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*
DOI: 10.2174/1573409914666180228111433
Research Article
Computational exploration of natural compounds to target cytosolic phospholipase A 2 protein: A novel therapeutic target for spinal cord injury
, 2018; 14(2): 117-124.Hongwu Fan, Shengqun Wang, Qiheng Zhao and Zhigang Qin*
DOI: 10.2174/1573409914666180123100714
Research Article
Exploring the influence of mutation on transthyretin aggregation in heart disease
, 2018; 14(2): 125-130.Ankita Sharma, Monu and Sagarika Biswas*
DOI: 10.2174/1573409914666180321104749
Research Article
Design, synthesis, and biological evaluation of vanillin hydroxamic acid derivatives as novel peptide deformylase inhibitors
, 1 March 2018; 14(1): 95-101.Jian Gao, Shengzhi Qiu, Li Liang, Zhixiang Hao, Qianqian Zhou, Fanfan Wang, Jie Mou* and Qisi Lin*
DOI: 10.2174/1573409913666170613074601
Research Article
Hybrid docking-QSAR studies of 1, 4-dihydropyridine-3, 5-dicarboxamides as potential antitubercular agents
, 1 March 2018; 14(1): 35-53.Yasaman Rasouli and Asghar Davood*
DOI: 10.2174/1573409913666170426154045
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Editor-in-Chief
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA
Biography
View Full Editorial Board
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.
About the Journal
For Authors
For Librarians & Readers
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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