Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure

Azole-bridged diplatinum compounds are promising new anticancer drugs designed to induce small distortions upon DNA alkylation, able to circumvent resistance problems of existing platinum drugs. Hybrid quantum classical (QM/MM) molecular dynamics (MD) simulations of different azole-bridged platinum...

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Publié dans:	Journal of computational chemistry. - 1984. - 29(2008), 1 vom: 15. Jan., Seite 38-49
Auteur principal:	Spiegel, Katrin (Auteur)
Autres auteurs:	Magistrato, Alessandra, Maurer, Patrick, Ruggerone, Paolo, Rothlisberger, Ursula, Carloni, Paolo, Reedijk, Jan, Klein, Michael L
Format:	Article
Langue:	English
Publié:	2008
Accès à la collection:	Journal of computational chemistry
Sujets:	Journal Article Research Support, Non-U.S. Gov't Antineoplastic Agents Azoles Platinum 49DFR088MY DNA 9007-49-2