Generalized essential energy space random walks to more effectively accelerate solute sampling in aqueous environment

Journal of Chemical Physics

Volumn 136, Issue 4, 2012, Pages

  Lv, Chao ^a   Zheng, Lianqing ^a   Yang, Wei ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDES; AQUEOUS ENVIRONMENT; CONFORMATIONAL TRANSITIONS; ENERGY COMPONENTS; ENERGY FLUCTUATION; ENERGY SPACES; HIGHER DIMENSIONS; INTERACTION ENERGIES; INTERNAL ENERGY COMPONENTS; MODEL STUDY; ORTHOGONAL SPACE; RANDOM WALK; RANDOM-WALK METHOD; SAMPLING EFFICIENCY;

AMINO ACIDS; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

RANDOM PROCESSES;

ALANINE; ASPARTIC ACID; DIPEPTIDE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; SOLUTION AND SOLUBILITY;

ALANINE; ASPARTIC ACID; DIPEPTIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; WATER;

EID: 84861120149     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3678220     Document Type: Article

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