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Polarizable force fields for molecular dynamics simulations of biomolecules

Published:2015-01-26 Issue:2 Volume:5 Page:241-254
ISSN:1759-0876
Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Baker Christopher M.¹

Affiliation:

1. Syngenta; Jealott's Hill International Research Centre; Bracknell Berkshire UK

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/wcms.1215/fullpdf

Reference104 articles.

1. Molecular dynamics simulations of biomolecules;Karplus;Nat Struct Biol,2002

2. Electronic circular dichroism spectroscopy of 1-(R)-phenylethanol: the “sector rule” revisited and an exploration of solvent effects;Macleod;Isr J Chem,2004

3. A solvent induced mechanism for conformational change;Baker;Chem Commun,2006

4. The effect of solvation on biomolecular conformation: 2-amino-1-phenylethanol;Baker;J Phys Chem B,2007

5. Long-timescale molecular dynamics simulations of protein structure and function;Klepeis;Curr Opin Struct Biol,2009

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