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WIREs Comput Mol Sci
Impact Factor: 14.016

Molecular Dynamics and Monte-Carlo Methods

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Essential dynamics: foundation and applications

Overview
Isabella Daidone, Andrea Amadei
Published Online: Feb 29 2012
DOI:10.1002/wcms.1099

Abstract Full article on Wiley Online Library:   HTML | PDF
Next challenges in protein–protein docking: from proteome to interactome and beyond

Overview
Adrien S.J. Melquiond, Ezgi Karaca, Panagiotis L. Kastritis, Alexandre M.J.J. Bonvin
Published Online: Sep 28 2011
DOI:10.1002/wcms.91

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
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
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
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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