Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics-Reference-Cited by-同舟云学术

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Motional timescale predictions by molecular dynamics simulations: Case study using proline and hydroxyproline sidechain dynamics

Published:2013-09-17 Issue:2 Volume:82 Page:195-215
ISSN:0887-3585
Container-title:Proteins: Structure, Function, and Bioinformatics
language:en
Short-container-title:Proteins

Author:

Aliev Abil E.¹,Kulke Martin¹,Khaneja Harmeet S.¹,Chudasama Vijay¹,Sheppard Tom D.¹,Lanigan Rachel M.¹

Affiliation:

1. Department of Chemistry; University College London; London WC1H 0AJ United Kingdom

Funder

EPSRC

BBSRC

University of Warwick

Birmingham Science City Advanced Materials

Advantage West Midlands

European Regional Development Fund

Publisher

Wiley

Subject

Molecular Biology,Biochemistry,Structural Biology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/prot.24350/fullpdf

Reference93 articles.

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

2. Empirical force fields for biological macromolecules: overview and issues;Mackerell;J Comput Chem,2004

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

4. Atomistic molecular simulations of protein folding;Best;Curr Opin Struct Biol,2012

5. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules;Cornell;J Am Chem Soc,1995

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