An amber compatible molecular mechanics force field for the anticancer drug topotecan

Theoretical Chemistry Accounts

Volumn 127, Issue 4, 2010, Pages 293-302

  Chillemi, Giovanni ^a   Coletta, Andrea ^b   Mancini, Giordano ^a   Sanna, Nico ^a   Desideri, Alessandro ^b  

^a CASPUR   (Italy)

^b UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

Amber; Anticancer; Camptothecin; Force field; Gromacs; Metadynamics; Molecular dynamics; Molecular mechanics; Topoisomerase; Topotecan

Indexed keywords

EID: 77957950129     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0715-9     Document Type: Article

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