Insight into the molecular mechanism about lowered dihydrofolate binding affinity to dihydrofolate reductase-like 1 (DHFRL1)

Journal of Molecular Modeling

Volumn 19, Issue 12, 2013, Pages 5187-5198

  Gao, Jian ^a   Cui, Wei ^a   Du, Yuguo ^a   Ji, Mingjuan ^a  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Dihydrofolate; Dihydrofolate reductase like 1; MM GBSA; Molecular dynamics simulation

Indexed keywords

DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE LIKE 1; DIHYDROFOLIC ACID; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATION; CONFORMATIONAL TRANSITION; ENERGY; ENZYME BINDING; ENZYME STRUCTURE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; SEQUENCE HOMOLOGY; STATIC ELECTRICITY;

BINDING SITES; ESCHERICHIA COLI; FOLIC ACID; HUMANS; KINETICS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 84890849411     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-2018-2     Document Type: Article

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