Multiscale enhanced sampling for protein systems: An extension via adiabatic separation

Chemical Physics Letters

Volumn 661, Issue , 2016, Pages 279-283

  Moritsugu, Kei ^a   Terada, Tohru ^b   Kidera, Akinori ^a  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Adiabatic separation; All atom model; Chignolin; Multiscale enhanced sampling

Indexed keywords

EFFICIENCY; PROTEINS; TEMPERATURE;

ADIABATIC SEPARATION; ALL-ATOM MODEL; CANONICAL ENSEMBLE; CHIGNOLIN; ENHANCED SAMPLINGS; PARAMETER SELECTION; SAMPLING EFFICIENCY; TEMPERATURE LIMITS;

SEPARATION;

EID: 84988919827     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2016.08.075     Document Type: Article

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