Current Topics in Medicinal Chemistry

Editor-in-Chief

Jia Zhou
Chemical Biology Program
Department of Pharmacology and Toxicology
University of Texas Medical Branch
Galveston, TX
(USA)

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Volume: 10 Issue: 1, January

Editorial [Hot topic: Current Computational Approaches in Medicinal Chemistry (Guest Editor: Santosh A. Khedkar)]

Volume:10   Issue: 1
Pp: 1-2
Santosh A. Khedkar
DOI: 10.2174/156802610790232323
Published on: 01 March, 2012

Emerging Methods for Ensemble-Based Virtual Screening

Volume:10   Issue: 1
Pp: 3-13
Rommie E. Amaro and Wilfred W. Li
DOI: 10.2174/156802610790232279
Published on: 01 March, 2012

Computational Approaches for Fragment-Based and De Novo Design

Volume:10   Issue: 1
Pp: 14-32
Kathryn Loving, Ian Alberts and Woody Sherman
DOI: 10.2174/156802610790232305
Published on: 01 March, 2012

Quantum Mechanical Methods for Drug Design

Volume:10   Issue: 1
Pp: 33-45
Ting Zhou, Danzhi Huang and Amedeo Caflisch
DOI: 10.2174/156802610790232242
Published on: 01 March, 2012

QM/MM Approaches in Medicinal Chemistry Research

Volume:10   Issue: 1
Pp: 46-54
Lochana C. Menikarachchi and Jose A. Gascon
DOI: 10.2174/156802610790232297
Published on: 01 March, 2012

The Role of Water Molecules in Computational Drug Design

Volume:10   Issue: 1
Pp: 55-66
Stephanie B.A. de Beer, Nico P.E. Vermeulen and Chris Oostenbrink
DOI: 10.2174/156802610790232288
Published on: 01 March, 2012

Hydrophobicity - Shake Flasks, Protein Folding and Drug Discovery

Volume:10   Issue: 1
Pp: 67-83
Aurijit Sarkar and Glen E. Kellogg
DOI: 10.2174/156802610790232233
Published on: 01 March, 2012

Template-Based Protein Modeling: Recent Methodological Advances

Volume:10   Issue: 1
Pp: 84-94
Pankaj R. Daga, Ronak Y. Patel and Robert J. Doerksen
DOI: 10.2174/156802610790232314
Published on: 01 March, 2012

3D-QSAR in Drug Design - A Review

Volume:10   Issue: 1
Pp: 95-115
Jitender Verma, Vijay M. Khedkar and Evans C. Coutinho
DOI: 10.2174/156802610790232260
Published on: 01 March, 2012

Two-Dimensional (2D) In Silico Models for Absorption, Distribution, Metabolism, Excretion and Toxicity (ADME/T) in Drug Discovery

Volume:10   Issue: 1
Pp: 116-126
Prashant S. Kharkar
DOI: 10.2174/156802610790232224
Published on: 01 March, 2012

Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic

Volume:10   Issue: 1
Pp: 127-141
Tanaji T. Talele, Santosh A. Khedkar and Alan C. Rigby
DOI: 10.2174/156802610790232251
Published on: 01 March, 2012