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Theoretical Chemistry Accounts

Volumn 109, Issue 3, 2003, Pages 118-124

A charge-scaling method to treat solvent in QM/MM simulations

(3) Dinner, Aaron R a Lopez, Xabier b Karplus, Martin c,d

a UNIVERSITY OF CALIFORNIA (United States)

b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU (Spain)

c HARVARD UNIVERSITY (United States)

d UNIVERSITÉ LOUIS PASTEUR (France)

Author keywords

Boltzmann continuum electrostatics; DNA glycosylase; Hybrid quantum mechanical molecular mechanical simulation methods; Poisson; Solvent shielding; Uracil

Indexed keywords

DOUBLE STRANDED DNA; ENZYME; SOLVENT; URACIL DNA GLYCOSYLTRANSFERASE;

ANALYTIC METHOD; CONFERENCE PAPER; ELECTRICITY; ENZYME MECHANISM; EXCISION REPAIR; HYDROLYSIS; INTERMETHOD COMPARISON; IONIZATION; MOLECULAR MECHANICS; MOLECULAR MODEL; POISSON DISTRIBUTION; QUANTUM CHEMISTRY; REACTION ANALYSIS; SIMULATION; THERMODYNAMICS;

EID: 0038056334 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-002-0417-z Document Type: Conference Paper

Times cited : (31)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.