Toward understanding the molecular basis for chemical allosteric modulator design

Journal of Molecular Graphics and Modelling

Volumn 38, Issue , 2012, Pages 324-333

  Wang, Qi ^a   Zheng, Mingyue ^b   Huang, Zhimin ^a   Liu, Xinyi ^a   Zhou, Huchen ^a   Chen, Yingyi ^a   Shi, Ting ^a   Zhang, Jian ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

"Allosteric like" rule; Allosteric modulators; Allosteric regulation; Structural rigidity

Indexed keywords

ALLOSTERIC MODULATORS; ALLOSTERIC REGULATION; ALLOSTERIC-LIKE RULE; CELLULAR FUNCTION; DISCRIMINATORY POWER; MOLECULAR BASIS; PHARMACEUTICAL RESEARCH AND DEVELOPMENT; REGULATION MECHANISMS; STRUCTURAL FEATURE; STRUCTURAL REQUIREMENTS; STRUCTURAL RIGIDITY;

CHEMICAL PROPERTIES; RIGIDITY;

MODULATORS;

ALLOSTERISM; ARTICLE; BINDING SITE; CHEMICAL BOND; CONTROLLED STUDY; DATA BASE; HYDROPHOBICITY; PRIORITY JOURNAL; RIGIDITY;

ALLOSTERIC REGULATION; ALLOSTERIC SITE; DATABASES, CHEMICAL; DATABASES, PHARMACEUTICAL; DRUG DESIGN; DRUG DISCOVERY; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INFLUENZA A VIRUS; LIGANDS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; RECEPTORS, GLUCOCORTICOID; SMALL MOLECULE LIBRARIES; STATIC ELECTRICITY; THYMIDYLATE SYNTHASE; VIRAL MATRIX PROTEINS;

EID: 84867485710     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.07.006     Document Type: Article

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