Flexible selection of the solute region in replica exchange with solute tempering: Application to protein-folding simulations-Reference-Cited by-同舟云学术

Flexible selection of the solute region in replica exchange with solute tempering: Application to protein-folding simulations

Published:2018-08-21 Issue:7 Volume:149 Page:072304
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Kamiya Motoshi¹,Sugita Yuji¹²³

Affiliation:

1. Computational Biophysics Research Team, RIKEN Advanced Institute for Computational Science, 7-1-26 Minatojima-minamimachi, Chuo-ku, Kobe 650-0047, Japan

2. Theoretical Molecular Science Laboratory, RIKEN, 2-1, Hirosawa, Wako 351-0198, Japan

3. Laboratory for Biomolecular Function Simulation, RIKEN Quantitative Biology Center Computational Biology Research Core, 1-6-5 Minatojima-minamimachi, Kobe 650-0047, Japan

Funder

Japan Society for the Promotion of Science

Core Research for Evolutional Science and Technology

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5016222

Reference81 articles.

1. Structure of a Protein Photocycle Intermediate by Millisecond Time-Resolved Crystallography

2. R. O. Dror, C. Young, and D. E. Shaw, in Encyclopedia of Parallel Computing, edited by D. Padua (Springer US, Boston, MA, 2011), pp. 60–71.