Current Computer - Aided Drug Design

Editorial (Thematic Issues: Topological and Electrotopological Descriptors of Molecules: Fundamental Principles and Applications to Computer-Aided Molecular Design - III)
pp. 447-448(2)
Authors: C. Basak, Subhash; Restrepo, Guillermo

Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach
pp. 449-462(14)
Author: C. Basak, Subhash

Adapting Interrelated Two-Way Clustering Method for Quantitative Structure-Activity Relationship (QSAR) Modeling of Mutagenicity/Non- Mutagenicity of a Diverse Set of Chemicals
pp. 463-471(9)
Authors: Majumdar, Subhabrata; C. Basak, Subhash; D. Grunwald, Gregory

Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds
pp. 472-481(10)
Authors: Debnath, Utsab; B. Katti, Seturam; S. Prabhakar, Yenamandra

A Neural Network-Based QSAR Approach for Exploration of Diverse Multi-Tyrosine Kinase Inhibitors and its Comparison with a Fragment-Based Approach
pp. 482-490(9)
Authors: Ajmani, Subhash; N. Viswanadhan, Vellarkad

Lemont B. Kier: A Bibliometric Exploration of his Scientific Production and its Use
pp. 491-505(15)
Authors: Restrepo, Guillermo; J. Llanos, Eugenio; E. Silva, Adriana

Editorial (Applications of Docking and Molecular Dynamics in Drug Design)
pp. 506-506(1)
Author: Yang, Gang

Applications of Docking and Molecular Dynamic Studies on the Search for New Drugs Against the Biological Warfare Agents Bacillus anthracis and Yersinia pestis
pp. 507-517(11)
Authors: Celmar Costa Franca, Tanos; Paula Guimaraes, Ana; Augusto Cortopassi, Wilian; Alves Oliveira, Aline; Castro Ramalho, Teodorico

Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy
pp. 518-531(14)
Authors: Dutta Dubey, Kshatresh; Kumar Tiwari, Rakesh; Prasad Ojha, Rajendra

Drug Design Benefits from Molecular Dynamics: Some Examples
pp. 532-546(15)
Authors: Zhang, Ji-Long; Zheng, Qing-Chuan; Chu, Wen-Ting; Zhang, Hong-Xing

Exploring the Molecular Mechanism of Action Between Drug and RNA Polymerase Based on Partially-Resolved Spatial Structures
pp. 547-555(9)
Authors: Sheng, Yajun; Zhang, Chen; Qiu, Xingye; Zheng, Wei; Ruan, Jishou; Shao, Yiming

A Review of Monoamine Transporter-Ligand Interactions
pp. 556-568(13)
Authors: Immadisetty, Kalyan; D. Madura, Jeffry

Acknowledgments to the Reviewers:
pp. 569-569(1)