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Volumn 109, Issue 3, 2003, Pages 133-139

Semiempirical QM/MM potential with simple valence bond (SVB) for enzyme reactions. Application to the nucleophilic addition reaction in haloalkane dehalogenase

(3) Devi Kesavan, Lakshmi S a Garcia Viloca, M a Gao, J a

a University of Minnesota (United States)

Author keywords

Combined QM MM; Haloalkane dehalogenase; Simple valence bond

Indexed keywords

BACTERIAL ENZYME; HALOALKANE DEHALOGENASE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ACCURACY; ADDITION REACTION; ANALYTIC METHOD; ANALYTICAL ERROR; CHEMICAL BOND; CONFERENCE PAPER; DECOMPOSITION; EMPIRICISM; ENERGY; ENERGY TRANSFER; ENZYME MECHANISM; HYDROLYSIS; MATHEMATICAL COMPUTING; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STANDARDIZATION; X RAY CRYSTALLOGRAPHY;

EID: 0038394700 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-002-0419-x Document Type: Conference Paper

Times cited : (33)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.