Modelling the interaction of several bisphosphonates with hydroxyapatite using the generalised AMBER force field

Journal of Molecular Structure

Volumn 825, Issue 1-3, 2006, Pages 134-142

  Robinson, Janine ^a   Cukrowski, Ignacy ^b   Marques, Helder M ^a  

^a UNIVERSITY OF THE WITWATERSRAND   (South Africa)

^b UNIVERSITY OF PRETORIA   (South Africa)

Author keywords

AMBER; Bisphosphonates; Bone cancer; Hydroxyapatite; Molecular mechanics

Indexed keywords

BONE; COMPUTATIONAL GEOMETRY; CRYSTAL STRUCTURE; DISEASE CONTROL; ESTERS; HYDROXYAPATITE; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; ONCOLOGY;

BISPHOSPHONATES; BONE CANCER; GENERALISED AMBER FORCE FIELD (GAFF); MOLECULAR MECHANICS;

MOLECULAR DYNAMICS;

EID: 33751275449     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.04.032     Document Type: Article

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