Modeling loop reorganization free energies of acetylcholinesterase: A comparison of explicit and implicit solvent models

Proteins: Structure, Function and Genetics

Volumn 57, Issue 4, 2004, Pages 645-650

  Olson, Mark A ^a  

^a UNITED STATES ARMY MEDICAL RESEARCH INSTITUTE OF INFECTIOUS DISEASES   (United States)

Author keywords

Atomic solvation potential; Dielectric screening; Generalized Born; Hydration; Molecular dynamics; Poisson equation

Indexed keywords

ACETYLCHOLINESTERASE; SOLVENT;

ACCURACY; ARTICLE; DIELECTRIC CONSTANT; ELECTRICITY; ENERGY; ENZYME CONFORMATION; HYDRATION; LINEAR RESPONSE APPROXIMATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MODEL; POISSON DISTRIBUTION; PRIORITY JOURNAL; SOLVATION;

ACETYLCHOLINESTERASE; COMPUTER SIMULATION; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; SOLVENTS; THERMODYNAMICS;

EID: 10344234690     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20294     Document Type: Article

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