Contents

Current Computer-Aided Drug Design, Volume 9 - Number 4

Editorial (Thematic Issues: Topological and Electrotopological Descriptors of Molecules: Fundamental Principles and Applications to Computer-Aided Molecular Design - III)

, 9(4): 447 - 448

Subhash C. Basak and Guillermo Restrepo


DOI: 10.2174/15734099113096660044




Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach

, 9(4): 449 - 462

Subhash C. Basak


DOI: 10.2174/15734099113096660041




Adapting Interrelated Two-Way Clustering Method for Quantitative Structure-Activity Relationship (QSAR) Modeling of Mutagenicity/Non- Mutagenicity of a Diverse Set of Chemicals

, 9(4): 463 - 471

Subhabrata Majumdar, Subhash C. Basak and Gregory D. Grunwald


DOI: 10.2174/15734099113096660045




Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds

, 9(4): 472 - 481

Utsab Debnath, Seturam B. Katti and Yenamandra S. Prabhakar


DOI: 10.2174/15734099113096660047




A Neural Network-Based QSAR Approach for Exploration of Diverse Multi-Tyrosine Kinase Inhibitors and its Comparison with a Fragment- Based Approach

, 9(4): 482 - 490

Subhash Ajmani and Vellarkad N. Viswanadhan


DOI: 10.2174/15734099113096660046




Lemont B. Kier: A Bibliometric Exploration of his Scientific Production and its Use

, 9(4): 491 - 505

Guillermo Restrepo, Eugenio J. Llanos and Adriana E. Silva


DOI: 10.2174/15734099113096660043




Editorial (Applications of Docking and Molecular Dynamics in Drug Design)

, 9(4): 506

Gang Yang and Zhiwei Yang


DOI: 10.2174/157340990904131213160459




Applications of Docking and Molecular Dynamic Studies on the Search for New Drugs Against the Biological Warfare Agents Bacillus anthracis and Yersinia pestis

, 9(4): 507 - 517

Tanos Celmar Costa França, Ana Paula Guimarães, Wilian Augusto Cortopassi, Aline Alves Oliveira and Teodorico Castro Ramalho


DOI: 10.2174/15734099113099990033




Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy

, 9(4): 518 - 531

Kshatresh Dutta Dubey, Rakesh Kumar Tiwari and Rajendra Prasad Ojha


DOI: 10.2174/15734099113096660036




Drug Design Benefits from Molecular Dynamics: Some Examples

, 9(4): 532 - 546

Ji-Long Zhang, Qing-Chuan Zheng, Wen-Ting Chu and Hong-Xing Zhang


DOI: 10.2174/15734099113099990024




Exploring the Molecular Mechanism of Action Between Drug and RNA Polymerase Based on Partially-Resolved Spatial Structures

, 9(4): 547 - 555

Yajun Sheng, Chen Zhang, Xingye Qiu, Wei Zheng, Jishou Ruan and Yiming Shao


DOI: 10.2174/15734099113099990025




A Review of Monoamine Transporter-Ligand Interactions

, 9(4): 556 - 568

Kalyan Immadisetty and Jeffry D. Madura


DOI: 10.2174/15734099113096660039




Acknowledgments to the Reviewers

, 9(4): 569


DOI: 10.2174/157340990904131213162928




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