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Contents

Current Topics in Medicinal Chemistry, Volume 10 - Number 1

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

, 10(1): 1 - 2

Santosh A. Khedkar


DOI: 10.2174/156802610790232323




Emerging Methods for Ensemble-Based Virtual Screening

, 10(1): 3 - 13

Rommie E. Amaro and Wilfred W. Li


DOI: 10.2174/156802610790232279




Computational Approaches for Fragment-Based and De Novo Design

, 10(1): 14 - 32

Kathryn Loving, Ian Alberts and Woody Sherman


DOI: 10.2174/156802610790232305




Quantum Mechanical Methods for Drug Design

, 10(1): 33 - 45

Ting Zhou, Danzhi Huang and Amedeo Caflisch


DOI: 10.2174/156802610790232242




QM/MM Approaches in Medicinal Chemistry Research

, 10(1): 46 - 54

Lochana C. Menikarachchi and Jose A. Gascon


DOI: 10.2174/156802610790232297




The Role of Water Molecules in Computational Drug Design

, 10(1): 55 - 66

Stephanie B.A. de Beer, Nico P.E. Vermeulen and Chris Oostenbrink


DOI: 10.2174/156802610790232288




Hydrophobicity - Shake Flasks, Protein Folding and Drug Discovery

, 10(1): 67 - 83

Aurijit Sarkar and Glen E. Kellogg


DOI: 10.2174/156802610790232233




Template-Based Protein Modeling: Recent Methodological Advances

, 10(1): 84 - 94

Pankaj R. Daga, Ronak Y. Patel and Robert J. Doerksen


DOI: 10.2174/156802610790232314




3D-QSAR in Drug Design - A Review

, 10(1): 95 - 115

Jitender Verma, Vijay M. Khedkar and Evans C. Coutinho


DOI: 10.2174/156802610790232260




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

, 10(1): 116 - 126

Prashant S. Kharkar


DOI: 10.2174/156802610790232224




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

, 10(1): 127 - 141

Tanaji T. Talele, Santosh A. Khedkar and Alan C. Rigby


DOI: 10.2174/156802610790232251




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