Partition of protein solvation into group contributions from molecular dynamics simulations

Proteins: Structure, Function and Genetics

Volumn 58, Issue 1, 2005, Pages 101-109

  Morreale, Antonio ^a   De La Cruz, Xavier ^a,b   Meyer, Tim ^a   Gelpí, Josep Lluís ^a,c   Luque, F Javier ^c   Orozco, Modesto ^a,c  

^a INSTITUTE FOR RESEARCH IN BIOMEDICINE   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Fractional solvation; Free energy of hydration; Linear response theory; Molecular dynamics; Protein solvent interations

Indexed keywords

AMINO ACID; PROTEIN;

ARTICLE; ENERGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION; SOLVATION; STATISTICAL ANALYSIS; THEORY; THREE DIMENSIONAL IMAGING;

EID: 10844268827     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20292     Document Type: Article

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