Full ab initio computation of protein-water interaction energies

Journal of Theoretical and Computational Chemistry

Volumn 3, Issue 1, 2004, Pages 43-49

  Zhang, D W ^a   Zhang, J Z H ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

Ab initio calculation; Interaction; MFCC; Protein water

Indexed keywords

AMINO ACID; GLYCOPROTEIN GP 41; WATER;

AB INITIO CALCULATION; ARTICLE; CONJUGATE; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ENERGY; FRACTIONATION; GEOMETRY; HUMAN IMMUNODEFICIENCY VIRUS 1; MACROMOLECULE; MOLECULAR INTERACTION; PROTEIN INTERACTION; QUANTUM THEORY;

EID: 4043173012     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633604000891     Document Type: Article

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