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WIREs Comput Mol Sci
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Molecular and Statistical Mechanics

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Recent developments and applications of the CHARMM force fields

Advanced Review
Xiao Zhu, Pedro E. M. Lopes, Alexander D. MacKerell
Published Online: Jun 28 2011
DOI:10.1002/wcms.74

Abstract Full article on Wiley Online Library:   HTML | PDF
Selected features of the polarizable continuum model for the representation of solvation

Advanced Review
Jacopo Tomasi
Published Online: Jun 03 2011
DOI:10.1002/wcms.54

Abstract Full article on Wiley Online Library:   HTML | PDF
Umbrella sampling

Advanced Review
Johannes Kästner
Published Online: May 26 2011
DOI:10.1002/wcms.66

Abstract Full article on Wiley Online Library:   HTML | PDF
The COSMO and COSMO‐RS solvation models

Advanced Review
Andreas Klamt
Published Online: Apr 28 2011
DOI:10.1002/wcms.56

Abstract Full article on Wiley Online Library:   HTML | PDF
Proline‐derived organocatalysis and synergism between theory and experiments

Overview
Raghavan B. Sunoj
Published Online: Apr 15 2011
DOI:10.1002/wcms.37

Abstract Full article on Wiley Online Library:   HTML | PDF
Cation–π and anion–π interactions

Advanced Review
Antonio Frontera, David Quiñonero, Pere M. Deyà
Published Online: Apr 11 2011
DOI:10.1002/wcms.14

Abstract Full article on Wiley Online Library:   HTML | PDF
Cooperative dynamics of proteins unraveled by network models

Overview
Eran Eyal, Anindita Dutta, Ivet Bahar
Published Online: Apr 11 2011
DOI:10.1002/wcms.44

Abstract Full article on Wiley Online Library:   HTML | PDF
Receptor flexibility in small‐molecule docking calculations

Advanced Review
Daria B. Kokh, Rebecca C. Wade, Wolfgang Wenzel
Published Online: Mar 17 2011
DOI:10.1002/wcms.29

Abstract Full article on Wiley Online Library:   HTML | PDF
Metadynamics

Advanced Review
Alessandro Barducci, Massimiliano Bonomi, Michele Parrinello
Published Online: Feb 18 2011
DOI:10.1002/wcms.31

Abstract Full article on Wiley Online Library:   HTML | PDF
Polarization effects in molecular interactions

Overview
F. Javier Luque, François Dehez, Christophe Chipot, Modesto Orozco
Published Online: Feb 03 2011
DOI:10.1002/wcms.32

Abstract Full article on Wiley Online Library:   HTML | PDF
Algorithm improvements for molecular dynamics simulations

Advanced Review
Per Larsson, Berk Hess, Erik Lindahl
Published Online: Jan 21 2011
DOI:10.1002/wcms.3

Abstract Full article on Wiley Online Library:   HTML | PDF
Discrete molecular dynamics

Overview
Elizabeth A. Proctor, Feng Ding, Nikolay V. Dokholyan
Published Online: Jan 21 2011
DOI:10.1002/wcms.4

Abstract Full article on Wiley Online Library:   HTML | PDF
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