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WIREs Comput Mol Sci

Simulation Methods

Listings: 1-10   11-20   21-24
Coarse‐grained methods for polymeric materials: enthalpy‐ and entropy‐driven models

Overview
Paola Carbone, Carlos Avendaño
Published Online: May 10 2013
DOI:10.1002/wcms.1149

Abstract Full article on Wiley Online Library:   HTML | PDF
High‐throughput molecular dynamics simulations: toward a dynamic view of macromolecular structure

Overview
Adam Hospital, Josep Ll Gelpi
Published Online: Feb 07 2013
DOI:10.1002/wcms.1142

Abstract Full article on Wiley Online Library:   HTML | PDF
Atomistic simulations of nucleosomes

Overview
Mithun Biswas, Jörg Langowski, Thomas C. Bishop
Published Online: Jan 31 2013
DOI:10.1002/wcms.1139

Abstract Full article on Wiley Online Library:   HTML | PDF
Predictions of protein–RNA interactions

Advanced Review
Davide Cirillo, Federico Agostini, Gian Gaetano Tartaglia
Published Online: Sep 25 2012
DOI:10.1002/wcms.1119

Abstract Full article on Wiley Online Library:   HTML | PDF
Resonance energy flow dynamics of coherently delocalized excitons in biological and macromolecular systems: Recent theoretical advances and open issues

Advanced Review
Seogjoo Jang, Yuan‐Chung Cheng
Published Online: Aug 08 2012
DOI:10.1002/wcms.1111

Abstract Full article on Wiley Online Library:   HTML | PDF
Recent successes in coarse‐grained modeling of DNA

Advanced Review
Davit A. Potoyan, Alexey Savelyev, Garegin A. Papoian
Published Online: Aug 08 2012
DOI:10.1002/wcms.1114

Abstract Full article on Wiley Online Library:   HTML | PDF
Coarse‐grained models of water

Overview
Leonardo Darré, Matías R. Machado, Sergio Pantano
Published Online: Jun 06 2012
DOI:10.1002/wcms.1097

Abstract Full article on Wiley Online Library:   HTML | PDF
Synergistic use of NMR and MD simulations to study the structural heterogeneity of proteins

Overview
Santiago Esteban‐Martín, Robert Bryn Fenwick, Xavier Salvatella
Published Online: Apr 18 2012
DOI:10.1002/wcms.1093

Abstract Full article on Wiley Online Library:   HTML | PDF
Optimization of protein models

Advanced Review
Dominik Gront, Sebastian Kmiecik, Maciej Blaszczyk, Dariusz Ekonomiuk, Andrzej Koliński
Published Online: Mar 29 2012
DOI:10.1002/wcms.1090

Abstract Full article on Wiley Online Library:   HTML | PDF
Electron transfer in DNA

Advanced Review
Khatcharin Siriwong, Alexander A. Voityuk
Published Online: Mar 29 2012
DOI:10.1002/wcms.1102

Abstract Full article on Wiley Online Library:   HTML | PDF

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