Accelerated molecular dynamics simulations of protein folding

Author:

Miao Yinglong1,Feixas Ferran23,Eun Changsun1,McCammon J. Andrew123

Affiliation:

1. Howard Hughes Medical Institute; University of California at San Diego; La Jolla, California

2. Department of Chemistry and Biochemistry; University of California at San Diego; La Jolla California

3. Department of Pharmacology; University of California at San Diego; La Jolla California

Funder

National Institutes of Health

National Science Foundation

Howard Hughes Medical Institute

National Biomedical Computation Resource

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference70 articles.

1. To milliseconds and beyond: challenges in the simulation of protein folding

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4. D.A. Case T. A. Darden T.E. Cheatham , III C.L. Simmerling J. Wang R.E. Duke R. Luo R.C. Walker W. Zhang K.M. Merz B. Roberts S. Hayik A. Roitberg G. Seabra J. Swails A.W. Goetz I. Kolossváry K.F. Wong F. Paesani J. Vanicek R.M. Wolf J. Liu X. Wu S.R. Brozell T. Steinbrecher H. Gohlke Q. Cai X. Ye J. Wang M.-J. Hsieh G. Cui D.R. Roe D.H. Mathews M.G. Seetin R. Salomon-Ferrer C. Sagui V. Babin T. Luchko S. Gusarov A. Kovalenko P.A. Kollman 2012

5. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

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