Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations

Proteins: Structure, Function and Bioinformatics

Volumn 82, Issue 11, 2014, Pages 2943-2956

  Di Martino, Giovanni Paolo ^a   Masetti, Matteo ^a   Cavalli, Andrea ^a,b   Recanatini, Maurizio ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

Author keywords

Autocatalysis; Enhanced sampling; Parvulins; Peptidyl prolyl isomerases; Pyramidalization

Indexed keywords

PEPTIDYLPROLYL ISOMERASE PIN1; PROLINE; NIMA-INTERACTING PEPTIDYLPROLYL ISOMERASE; PEPTIDYLPROLYL ISOMERASE; WATER;

ACCELERATION; ARTICLE; CATALYSIS; CIS TRANS ISOMERISM; CONTROLLED STUDY; COVALENT BOND; CRYSTAL STRUCTURE; ENERGY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FUNCTION; PROTEIN STABILITY; REDUCTION; SAMPLING; CHEMICAL STRUCTURE; CHEMISTRY; CLUSTER ANALYSIS; ISOMERISM; METABOLISM;

CATALYSIS; CLUSTER ANALYSIS; ISOMERISM; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PEPTIDYLPROLYL ISOMERASE; PROTEIN CONFORMATION; WATER;

EID: 84937569226     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24650     Document Type: Article

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