Discovery of multiple hidden allosteric sites by combining Markov state models and experiments

Proceedings of the National Academy of Sciences of the United States of America

Volumn 112, Issue 9, 2015, Pages 2734-2739

  Bowman, Gregory R ^a,b   Bolin, Eric R ^a   Hart, Kathryn M ^a,b   Maguire, Brendan C ^b   Marqusee, Susan ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Antibiotic resistance; Molecular dynamics; Thiol labeling

Indexed keywords

5,5' DITHIOBIS(2 NITROBENZOIC ACID); ANTIBIOTIC AGENT; BETA LACTAMASE TEM 1; LIGAND; THIOL DERIVATIVE; BETA LACTAMASE; ESCHERICHIA COLI PROTEIN;

ALLOSTERISM; ANTIBIOTIC RESISTANCE; ARTICLE; BINDING SITE; COMPUTER MODEL; CONFORMATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG BINDING; DRUG DESIGN; EXPERIMENT; HIDDEN MARKOV MODEL; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ENZYMOLOGY; ESCHERICHIA COLI; GENETICS; PROBABILITY;

ALLOSTERIC SITE; BETA-LACTAMASES; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; MARKOV CHAINS; MODELS, CHEMICAL; MODELS, MOLECULAR;

EID: 84924386814     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1417811112     Document Type: Article

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