Exploring the desumoylation process of SENP1: A study combined MD simulations with QM/MM calculations on SENP1-SUMO1-RanGAP1

Journal of Chemical Information and Modeling

Volumn 53, Issue 9, 2013, Pages 2360-2368

  Shi, Ting ^a   Han, Yuhui ^a   Li, Weihua ^b   Zhao, Yanlong ^a   Liu, Yaqin ^a   Huang, Zhimin ^a   Lu, Shaoyong ^a   Zhang, Jian ^a  

^a SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ENZYMES; HYDROPHOBICITY; POTENTIAL ENERGY; REACTION INTERMEDIATES; TRANSCRIPTION;

CARBONYL CARBON; CATALYTIC MECHANISMS; HYDROPHOBIC INTERACTIONS; NUCLEOPHILIC ATTACK; QM/MM CALCULATIONS; RATE DETERMINING STEP; SMALL UBIQUITIN-RELATED MODIFIERS; TETRAHEDRAL INTERMEDIATES;

SUBSTRATES;

GUANOSINE TRIPHOSPHATASE ACTIVATING PROTEIN; PROTEINASE; SUMO 1 PROTEIN;

CHEMISTRY; DRUG DEVELOPMENT; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; QUANTUM THEORY; SUMOYLATION; THERMODYNAMICS; ARTICLE;

DRUG DISCOVERY; ENDOPEPTIDASES; GTPASE-ACTIVATING PROTEINS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; QUANTUM THEORY; SUMO-1 PROTEIN; SUMOYLATION; THERMODYNAMICS;

EID: 84884549753     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4002487     Document Type: Article

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