Exploring conformational changes coupled to ionization states using a hybrid Rosetta-MCCE protocol

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 12, 2011, Pages 3356-3363

  Song, Yifan ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

MCCE; PK a prediction; Reorganization energy; Rosetta refinement

Indexed keywords

ASPARTIC ACID; GLUTAMIC ACID; LYSINE; NUCLEASE;

ARTICLE; CONFORMATIONAL TRANSITION; DIELECTRIC CONSTANT; HYBRID; IONIZATION; MOLECULAR MECHANICS; MULTI CONFORMATION CONTINUUM ELECTROSTATICS; PKA; PRIORITY JOURNAL; PROTEIN CONFORMATION; ROSETTA FULLATOM REFINEMENT; STAPHYLOCOCCUS; STATIC ELECTRICITY;

BACTERIAL PROTEINS; HYDROGEN-ION CONCENTRATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MICROCOCCAL NUCLEASE; MODELS, CHEMICAL; MODELS, MOLECULAR; MUTATION; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; STATIC ELECTRICITY; STATISTICS AS TOPIC; THERMODYNAMICS;

EID: 81055156172     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23146     Document Type: Article

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