Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Articles Ahead of Print

The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR

Volume:15
Andrey A. Toropov* and Alla P. Toropova

VaxiJen Dataset of Bacterial Immunogens: An Update

Volume:15
Nevena Zaharieva, Ivan Dimitrov, Darren R. Flower and Irini Doytchinova*

Exploring the Role of Water Molecules in the Ligand Binding Domain of PDE4B and PDE4D: Virtual Screening Based Molecular Docking of Some Active Scaffolds

Volume:14
Priya Singh, Mitali Mishra, Shivangi Agarwal, Samaresh Sau, Arun K. Iyer* and Sushil K. Kashaw*

Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase

Volume:15
Kai-Xiong Qiu, Wen Zhang, Fang Yu, Wei Li, Zhong-Wen Sun, Shu-Qun Zhang, Ya-Juan Chen and Hui-Ding Xie*

In Silico-QSAR Modelling of Predicted Rho Kinase Inhibitors Against Cardio Vascular Diseases

Volume:15
Sarvesh Paliwal, Swapnil Sharma, Seema Kesar*, Pooja Mishra, Monika Chauhan, Richa Arya, Kirtika Madan and Shagufta Khan

Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one Derivatives

Volume:15
Trupti S. Chitre*, Shital M. Patil, Anagha G. Sujalegaonkar, Kalyani D. Asgaonkar, Vijay M. Khedkar, Dinesh R. Garud, Prakash C. Jha, Sharddha Y. Gaikwad, Smita S. Kulkarni, Amit Choudhari and Dhiman Sarkar

In Silico Appraisal, Synthesis, Antibacterial Screening and DNA Cleavage for 1,2,5-thiadiazole Derivative

Volume:15
Suraj N. Mali, Sudhir Sawant, Hemchandra K. Chaudhari* and Mustapha C. Mandewale

Computational Studies of bis-2-Oxoindoline Succinohydrazides and their In Vitro Cytotoxicity

Volume:15
Ravi Jarapula, Vishnu Nayak Badavath, Shriram Rekulapally and Sarangapani Manda*

DPP-IV Inhibitory Phenanthridines: Ligand, Structure-Based Design, and Synthesis

Volume:15
Reema Abu Khalaf*, Dalal Masalha and Dima Sabbah

3D-QSAR and Molecular Docking Studies on Design Anti-Prostate Cancer Curcumin Analogues

Volume:15
Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai

De-Novo Ligand Design Against Mutated Huntington Gene by Ligand- Based Pharmacophore Modeling Approach

Volume:15
Anum Munir*, Shaukat Iqbal Malik* and Khalid Akhtar Malik

In Silico Design of Fusion Toxin DT389GCSF and a Comparative Study

Volume:14
Maryam Ghodrati Siahmazgi, Mohammad Ali Nasiri Khalili*, Fathollah Ahmadpour, Sirus Khodadadi and Mehdi Zeinoddini

Molecular Modeling and Simulation of Transketolase from Orthosiphon stamineus

Volume:14
Ng Mei Ling, Zaidah binti Rahmat* and Mohd Shahir Shamsir bin Omar*