A quantum mechanical polarizable force field for biomolecular interactions

Proceedings of the National Academy of Sciences of the United States of America

Volumn 102, Issue 22, 2005, Pages 7829-7834

  Donchev, A G ^a   Ozrin, V D ^a   Subbotin, M V ^a   Tarasov, O V ^a   Tarasov, V I ^a  

^a Algodign LLC   (Russian Federation)

Author keywords

Drug design; Quantum mechanics

Indexed keywords

AB INITIO CALCULATION; ARTICLE; DATA ANALYSIS; DENSITY; DISPERSION; DRUG DESIGN; ELECTRICITY; ELECTRON; ENERGY; FORCE; GAS; LIQUID; MOLECULAR INTERACTION; POLARIZATION; PRIORITY JOURNAL; QUANTUM MECHANICS; SURFACE CHARGE;

EID: 20344368593     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0502962102     Document Type: Article

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