Qm/mm md and free energy simulations of g9a-like protein (glp) and its mutants: Understanding the factors that determine the product specificity

PLoS ONE

Volumn 7, Issue 5, 2012, Pages

  Chu, Yuzhuo ^a   Yao, Jianzhuang ^a   Guo, Hong ^a,b  

^a UNIVERSITY OF TENNESSEE   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

G9A LIKE PROTEIN; HISTONE LYSINE METHYLTRANSFERASE; LYSINE 6 AMINOTRANSFERASE; MUTANT PROTEIN; PHENYLALANINE; TYROSINE; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; CONTROLLED STUDY; ENZYME ACTIVITY; FREE ENERGY SIMULATION; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MUTATIONAL ANALYSIS; PROTEIN PROCESSING; QUANTUM MECHANICS; WILD TYPE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME SPECIFICITY; GENETICS; MISSENSE MUTATION; PROTEIN CONFORMATION; QUANTUM THEORY;

HISTONE-LYSINE N-METHYLTRANSFERASE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTATION, MISSENSE; PROTEIN CONFORMATION; QUANTUM THEORY; SUBSTRATE SPECIFICITY;

EID: 84862060896     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0037674     Document Type: Article

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