The updated force field parameters for molecular modeling of cisplatin and oxaliplatin adducts with DNA

Proc Amer Assoc Cancer Res, Volume 47, 2006 1566 Conformational changes in the DNA duplex introduced by the anticancer drugs cisplatin (CP) and oxaliplatin (OX) may be, in part, responsible for their difference in tumor specificity and mutagenicity. The accuracy of force field parameters employed for molecular mechanics modeling is crucial for molecular dynamics (MD) simulations, resulting in agreement with experimental data and meaningful...