Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method

PLoS Computational Biology

Volumn 11, Issue 7, 2015, Pages

  Petukh, Marharyta ^a   Li, Minghui ^b   Alexov, Emil ^a  

^a CLEMSON UNIVERSITY   (United States)

^b NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CONFORMATIONS; FORECASTING; FREE ENERGY; PROTEINS;

3D STRUCTURE; AMINO ACIDS MUTATION; BINDING FREE ENERGY; CONFORMATIONAL CHANGE; FREE ENERGY CHANGE; MM-PBSA; POINT MUTATIONS; PROTEIN-PROTEIN COMPLEXES; STRUCTURE-BASED; TWO-COMPONENT;

AMINO ACIDS;

AMINO ACID SEQUENCE; ANALYTIC METHOD; ARTICLE; BINDING FREE ENERGY CHANGE; CONFORMATIONAL TRANSITION; DIELECTRIC CONSTANT; MOLECULAR MECHANICS; PHYSICAL CHEMISTRY; POINT MUTATION; POISSON BOLTZMANN SURFACE AREA METHOD; PREDICTION; PROCESS OPTIMIZATION; PROTEIN PROCESSING; PROTEIN STRUCTURE; RECEIVER OPERATING CHARACTERISTIC; SIMULATION; STATISTICAL ANALYSIS; AMINO ACID SUBSTITUTION; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; EVALUATION STUDY; GENETICS; MOLECULAR GENETICS; PROCEDURES; PROTEIN ANALYSIS; SEQUENCE ANALYSIS; STATISTICAL MODEL;

PROTEIN; PROTEIN BINDING;

AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; BINDING SITES; COMPUTER SIMULATION; ENERGY TRANSFER; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR SEQUENCE DATA; POINT MUTATION; PROTEIN BINDING; PROTEIN INTERACTION MAPPING; PROTEINS; SEQUENCE ANALYSIS, PROTEIN;

EID: 84938634140     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1004276     Document Type: Article

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