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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 1 Issue 2 (March/April 2011)
Page 153 - 322

Overviews

The electrostatic potential: an overview
Published Online: Feb 18 2011
DOI: 10.1002/wcms.19
Abstract Full article on Wiley Online Library:   HTML | PDF
Low‐resolution structural approaches to study biomolecular assemblies
Published Online: Feb 18 2011
DOI: 10.1002/wcms.15
Abstract Full article on Wiley Online Library:   HTML | PDF
Rotational barriers in alkanes
Published Online: Feb 18 2011
DOI: 10.1002/wcms.22
Abstract Full article on Wiley Online Library:   HTML | PDF
Pseudopotentials and modelpotentials
Published Online: Feb 18 2011
DOI: 10.1002/wcms.28
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Receptor flexibility in small‐molecule docking calculations
Published Online: Mar 17 2011
DOI: 10.1002/wcms.29
Abstract Full article on Wiley Online Library:   HTML | PDF
Outstanding challenges in protein–ligand docking and structure‐based virtual screening
Published Online: Mar 16 2011
DOI: 10.1002/wcms.18
Abstract Full article on Wiley Online Library:   HTML | PDF
Density functional theory with London dispersion corrections
Published Online: Mar 16 2011
DOI: 10.1002/wcms.30
Abstract Full article on Wiley Online Library:   HTML | PDF
Similarity searching
Published Online: Feb 18 2011
DOI: 10.1002/wcms.23
Abstract Full article on Wiley Online Library:   HTML | PDF
Mixed quantum mechanics and molecular mechanics methods: Looking inside proteins
Published Online: Feb 01 2011
DOI: 10.1002/wcms.27
Abstract Full article on Wiley Online Library:   HTML | PDF
The Cope rearrangement—the first born of a great family
Published Online: Jan 21 2011
DOI: 10.1002/wcms.17
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

Columbus—a program system for advanced multireference theory calculations
Published Online: Jan 21 2011
DOI: 10.1002/wcms.25
Abstract Full article on Wiley Online Library:   HTML | PDF

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