Home
This Title All WIREs
WIREs RSS Feed
How to cite this WIREs title:
WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 2 Issue 3 (May/June 2012)
Page 375 - 512

Opinion

Hansch analysis 50 years on
Published Online: Apr 18 2012
DOI: 10.1002/wcms.1096
Abstract Full article on Wiley Online Library:   HTML | PDF

Overviews

Synergistic use of NMR and MD simulations to study the structural heterogeneity of proteins
Published Online: Apr 18 2012
DOI: 10.1002/wcms.1093
Abstract Full article on Wiley Online Library:   HTML | PDF
Transition metal catalysis by density functional theory and density functional theory/molecular mechanics
Published Online: Jan 17 2012
DOI: 10.1002/wcms.1092
Abstract Full article on Wiley Online Library:   HTML | PDF
Ab initio calculation of magnetic circular dichroism
Published Online: Jan 17 2012
DOI: 10.1002/wcms.1091
Abstract Full article on Wiley Online Library:   HTML | PDF
Computational toxicology: a tool for all industries
Published Online: Nov 14 2011
DOI: 10.1002/wcms.100
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Optimization of protein models
Published Online: Mar 29 2012
DOI: 10.1002/wcms.1090
Abstract Full article on Wiley Online Library:   HTML | PDF
Understanding protein unfolding from molecular simulations
Published Online: Jan 26 2012
DOI: 10.1002/wcms.1088
Abstract Full article on Wiley Online Library:   HTML | PDF
Density‐functional tight binding—an approximate density‐functional theory method
Published Online: Jan 25 2012
DOI: 10.1002/wcms.1094
Abstract Full article on Wiley Online Library:   HTML | PDF
Polarizable continuum model
Published Online: Jan 17 2012
DOI: 10.1002/wcms.1086
Abstract Full article on Wiley Online Library:   HTML | PDF
Local modes in vibration–rotation spectroscopy
Published Online: Jan 17 2012
DOI: 10.1002/wcms.1089
Abstract Full article on Wiley Online Library:   HTML | PDF

Access to this WIREs title is by subscription only.

Recommend to Your
Librarian Now!

The latest WIREs articles in your inbox

Sign Up for Article Alerts