Computational Chemistry Books

This is a list of books suggested by members of the Computational Chemistry List

Molecular Driving Forces: Statistical Thermodynamics in Biology, Chemistry, Physics, and Nanoscience

Author(s) - Ken Dill, Sarina Bromberg ISBN: 9780815320517

Protein-ligand Interactions: From Molecular Recognition to Drug Design (Methods and Principles in Medicinal Chemistry)

Editor(s): Prof. Dr. H.-J. Bhm, Prof. Dr. G. Schneider Series Editor(s): Prof. Dr. Raimund Mannhold, Prof. Dr. Hugo Kubinyi, Prof. Dr. Gerd Folkers Print ISBN: 9783527305216  

Molecular Modelling: Principles and Applications

Andrew Leach (second edition) Prentice Hall (April 9, 2001) ISBN: 978-0582382107

Molecular Modeling of Inorganic Compounds

Peter Comba, Trevor W. Hambley, Bodo Martin ISBN: 978-3-527-31799-8

Essentials of Computational Chemistry, 2nd Edition

Christopher J. Cramer ISBN: 978-0470091821 Wiley  2nd edition (2004)

Quantitative Drug Design: A Critical Introduction, Second Edition

Yvonne C. Martin,   ISBN: 9781420070996 Publication date: May 24, 2010

Drug Bioavailability: Estimation of Solubility, Permeability, Absorption and Bioavailability: 40 (Methods and Principles in Medicinal Chemistry)

Han Van de Waterbeemd, Bernard Testa, Raimund Manhold, Hugo Kubinyi and Gerd Folkers ISBN: 978-3-527-32051-6

Drug Transporters: Molecular Characterization and Role in Drug Disposition (Wiley Series in Drug Discovery and Development)

Guofeng You, Marilyn E. Morris, Binghe Wang ISBN: 978-0-0471-78491-3, 897 pages, August 2007 (Wiley)

Drug-membrane Interactions: Analysis, Drug Distribution, Modeling (Methods and Principles in Medicinal Chemistry)

Editor(s): Prof. Dr. Joachim K. Seydel, Prof. Dr. Michael Wiese Series Editor(s): Prof. Dr. Raimund Mannhold, Prof. Dr. Hugo Kubinyi, Prof. Dr. Gerd Folkers ISBN: 9783527304271

Pharmacokinetic Optimization in Drug Research: Biological, Physicochemical and Computational Strategies (Chemistry)

Editor(s): Prof. Bernard Testa, Dr. Han van de Waterbeemd, Prof. Gerd Folkers, Prof. Richard Guy ISBN: 9783906390222  

An Introduction to Chemoinformatics

Andrew R. Leach and V. J. Gillet ISBN: 978-1402062902 Springer