Predicting extreme pK a shifts in staphylococcal nuclease mutants with constant pH molecular dynamics

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 12, 2011, Pages 3276-3286

  Arthur, Evan J ^a   Yesselman, Joseph D ^a   Brooks, Charles L ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Buried charges; CPHMD; Molecular dynamics; Titration

Indexed keywords

NUCLEASE; PROTON; STAPHYLOCOCCAL NUCLEASE; UNCLASSIFIED DRUG; BACTERIAL PROTEIN; MICROCOCCAL NUCLEASE; MUTANT PROTEIN;

ARTICLE; CONSTANT PH MOLECULAR DYNAMICS; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; PH; PKA; PLASTICITY; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTON TRANSPORT; STAPHYLOCOCCUS; STATIC ELECTRICITY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; GENETICS; METABOLISM; METHODOLOGY; PROTEIN TERTIARY STRUCTURE; STATISTICS; THERMODYNAMICS;

BACTERIAL PROTEINS; HYDROGEN-ION CONCENTRATION; MICROCOCCAL NUCLEASE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; MUTANT PROTEINS; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; STATIC ELECTRICITY; STATISTICS AS TOPIC; THERMODYNAMICS;

EID: 81055155927     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23195     Document Type: Article

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