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Journal of Molecular Modeling

Volumn 17, Issue 8, 2011, Pages 1919-1926

Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation

(3) Hu, Guodong a,b Zhang, Qinggang b Chen, L Y a

a UNIVERSITY OF TEXAS AT SAN ANTONIO (United States)

b SHANDONG NORMAL UNIVERSITY (China)

Author keywords

Binding free energy; MM GBSA; Molecular dynamics simulation; ScFv

Indexed keywords

ADENOSINE PHOSPHATE; AMPHETAMINE; METHAMPHETAMINE; SINGLE CHAIN FRAGMENT VARIABLE ANTIBODY;

ARTICLE; ATOM; CRYSTALLOGRAPHY; DRUG CONFORMATION; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENERGY; ENTROPY; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

AMPHETAMINE; CENTRAL NERVOUS SYSTEM STIMULANTS; HUMANS; LIGANDS; METHAMPHETAMINE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; SINGLE-CHAIN ANTIBODIES;

EID: 80051791940 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-010-0892-4 Document Type: Article

Times cited : (12)

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