Modeling the interaction of seven bisphosphonates with the hydroxyapatite(100) face

Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4007-4012

  Chen, Chunyu ^a   Xia, Mingzhu ^a   Wu, Lei ^a   Zhou, Chao ^a   Wang, Fengyun ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Antiresorption; Bisphosphonates; Density functional theory; Hydroxyapatite; Molecular dynamic

Indexed keywords

BISPHOSPHONIC ACID DERIVATIVE; HYDROXYAPATITE; OXYGEN; PAMIDRONIC ACID; PHOSPHATE;

ARTICLE; ATOM; COMPASS FORCE FIELD; DENSITY FUNCTIONAL THEORY; ELECTRON; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROCEDURES;

BONE RESORPTION; COMPUTER SIMULATION; DIPHOSPHONATES; DURAPATITE; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; OSTEOCLASTS; OXYGEN; PROTONS; WATER;

EID: 84867581050     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1398-z     Document Type: Article

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