SCOPUS 정보 검색 플랫폼

Volumn 126, Issue 2, 2007, Pages

Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: A general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations

(3) Li, Hongzhi a Fajer, Mikolai a Yang, Wei a

a FLORIDA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; FREE ENERGY; QUANTUM THEORY;

BIOPHYSICAL PROBLEMS; CONFORMATIONAL SAMPLING; MOLECULAR MECHANICAL SIMULATIONS; SCALING PARAMETERS;

MOLECULAR DYNAMICS;

BIOPOLYMER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; MECHANICS; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; BIOPOLYMERS; COMPUTER SIMULATION; MECHANICS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 33846202056 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2424700 Document Type: Article

Times cited : (83)

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