Molecular dynamics simulations of human carbonic anhydrase II: Insight into experimental results and the role of solvation

Proteins: Structure, Function and Genetics

Volumn 33, Issue 1, 1998, Pages 119-134

  Lu, Dongsheng ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

Enzyme catalysis; Molecular mechanics; Molecular modeling; Mutations; Proton transfer

Indexed keywords

CARBONATE DEHYDRATASE II;

AMINO ACID SEQUENCE; ARTICLE; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTATION; PRIORITY JOURNAL;

CARBONIC ANHYDRASES; COMPUTER SIMULATION; HISTIDINE; HUMANS; LIGANDS; MODELS, MOLECULAR; MUTAGENESIS, SITE-DIRECTED; PROTEIN CONFORMATION; SOLVENTS; THREONINE; WATER; ZINC;

EID: 0032190415     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19981001)33:1<119::AID-PROT11>3.0.CO;2-O     Document Type: Article

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