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Coordination Chemistry Reviews

Volumn 238-239, Issue , 2003, Pages 9-20

Inorganic and bioinorganic molecular mechanics modeling - The problem of the force field parameterization

(2) Comba, Peter a Remenyi, Rainer a

a UNIVERSITY OF HEIDELBERG (Germany)

Author keywords

DFT; Force field development; Metalloproteins; QM MM; Validation

Indexed keywords

COPPER PROTEIN; INORGANIC COMPOUND; METALLOPROTEIN;

ANALYTIC METHOD; CALCULATION; FIELD EXPERIMENT; FORCE; FORCE FIELD; MOLECULAR MECHANICS; MOLECULAR MODEL; PROBLEM SOLVING; PROTEIN STRUCTURE; QUANTUM MECHANICS; REVIEW; TUNING CURVE; VALIDATION PROCESS;

EID: 0037718265 PISSN: 00108545 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-8545(02)00286-2 Document Type: Article

Times cited : (83)

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