Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

Personal Subscription
Become EABM
Become Reviewer

Editor’s Perspective: Molecular Descriptor Landscape in the Twenty First Century and its Proper Use for Computer-Aided Drug Design free to download

Volume:15   Issue: 1
Pp: 1-2
Subhash C. Basak
DOI: 10.2174/157340991501181214103556

A Physical Theory of Sleep Involving Nitrogen Nanobubbles and Proton Hopping free to download

Volume:15   Issue: 1
Pp: 3-5
Subhash C. Basak and Lemont B. Kier
DOI: 10.2174/157340991501181214103920

Virtual Screening Meets Deep Learning

Volume:15   Issue: 1
Pp: 6-28
Javier Pérez-Sianes, Horacio Pérez-Sánchez and Fernando Díaz*
DOI: 10.2174/1573409914666181018141602

Base Distribution in Dengue Nucleotide Sequences Differs Significantly from Other Mosquito-Borne Human-Infecting Flavivirus Members

Volume:15   Issue: 1
Pp: 29-44
Proyasha Roy, Sumanta Dey, Ashesh Nandy*, Subhash C. Basak and Sukhen Das
DOI: 10.2174/1573409914666180731090005

An Integrated-OFFT Model for the Prediction of Protein Secondary Structure Class

Volume:15   Issue: 1
Pp: 45-54
Bishnupriya Panda, Babita Majhi* and Abhimanyu Thakur
DOI: 10.2174/1573409914666180828105228

Molecular Docking Analysis of Caspase-3 Activators as Potential Anticancer Agents

Volume:15   Issue: 1
Pp: 55-66
Sushil K. Kashaw*, Shivangi Agarwal, Mitali Mishra, Samaresh Sau and Arun K. Iyer
DOI: 10.2174/1573409914666181015150731

Combinatorial Design of Molecule using Activity-Linked Substructural Topological Information as Applied to Antitubercular Compounds

Volume:15   Issue: 1
Pp: 67-81
Chandan Raychaudhury, Md. Imbesat Hassan Rizvi and Debnath Pal*
DOI: 10.2174/1573409914666180509152711

Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach

Volume:15   Issue: 1
Pp: 82-88
Md. Mostafijur Rahman, Md. Bayejid Hosen, M. Zakir Hossain Howlader and Yearul Kabir*
DOI: 10.2174/1573409914666180629151906

In silico Molecular Modelling of Selected Natural Ligands and their Binding Features with Estrogen Receptor Alpha

Volume:15   Issue: 1
Pp: 89-96
V.L. Maruthanila, R. Elancheran*, Nand Kishor Roy, Anupam Bhattacharya, Ajaikumar B. Kunnumakkara, S. Kabilan and Jibon Kotoky
DOI: 10.2174/1573409914666181008165356

In Silico Identification of Novel Apolipoprotein E4 Inhibitor for Alzheimer’s Disease Therapy

Volume:15   Issue: 1
Pp: 97-103
Saddia Bano, Muhammad Asif Rasheed, Farrukh Jamil, Muhammad Ibrahim* and Sumaira Kanwal*
DOI: 10.2174/1573409914666181008164209

New Resensitizers for the Nicotinic Acetylcholine Receptor by Ligand-Based Pharmacophore Modeling

Volume:15   Issue: 1
Pp: 104-109
Thomas Wein, Klaus T. Wanner *, Sebastian Rappenglück, Sonja Sichler, Karin V. Niessen, Thomas Seeger, Franz Worek and Horst Thiermann
DOI: 10.2174/1573409914666180703120201