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
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
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
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
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
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
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
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
Molecular docking studies applied to a dataset of cruzain inhibitors
, 1 March 2018; 14(1): 68-78.Edeildo Ferreira da Silva-Junior, Paulo Henrique Barcellos Franca, Frederico Favaro Ribeiro, Francisco Jaime Bezerra Mendonca-Junior, Luciana Scotti*, Marcus Tullius Scotti, Thiago Mendonca de Aquino and Joao Xavier de Araujo-Junior
DOI: 10.2174/1573409913666170519112758
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
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
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
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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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