Halogen bond: Its role beyond drug-target binding affinity for drug discovery and development

Journal of Chemical Information and Modeling

Volumn 54, Issue 1, 2014, Pages 69-78

  Xu, Zhijian ^a   Yang, Zhuo ^a   Liu, Yingtao ^a   Lu, Yunxiang ^b   Chen, Kaixian ^a   Zhu, Weiliang ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

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

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS; PROTEINS; QUANTUM CHEMISTRY; SURVEYS;

BINDING AFFINITIES; DEVELOPMENT PROCESS; LEAD OPTIMIZATION; ORGANOBROMINES; ORGANOCHLORINES; PLASMA TRANSPORT; QM/MM CALCULATIONS; QUANTUM CHEMISTRY CALCULATIONS;

BINDING ENERGY;

HALOGEN;

BINDING SITE; BIOLOGY; CHEMICAL DATABASE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DATABASE; DRUG DEVELOPMENT; MOLECULAR DYNAMICS; PROCEDURES; PROTEIN DATABASE; QUANTUM THEORY; STATISTICS AND NUMERICAL DATA;

BINDING SITES; COMPUTATIONAL BIOLOGY; DATABASES, CHEMICAL; DATABASES, PHARMACEUTICAL; DATABASES, PROTEIN; DRUG DISCOVERY; HALOGENS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 84893415560     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400539q     Document Type: Article

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