화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance
Spiegel K, Magistrato A, Carloni P, Reedijk J, Klein ML
Journal of Physical Chemistry B, 111(41), 11873, 2007
2 Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations
Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML
Journal of Structural Biology, 157(3), 444, 2007
3 Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: Insights from hybrid QM/MM molecular dynamics simulations
Magistrato A, Ruggerone P, Spiegel K, Carloni P, Reedijk J
Journal of Physical Chemistry B, 110(8), 3604, 2006
4 Duocarmycins binding to DNA investigated by molecular simulation
Spiegel K, Rothlisberger U, Carloni P
Journal of Physical Chemistry B, 110(8), 3647, 2006
5 Cisplatin binding to DNA oligomers from hybrid Car-Parrinello/molecular dynamics simulations
Spiegel K, Rothlisberger U, Carloni P
Journal of Physical Chemistry B, 108(8), 2699, 2004
6 Electrostatic role of phosphate 2485 in the large ribosomal unit from H-marismortui
Spiegel K, Carloni P
Journal of Physical Chemistry B, 107(9), 2091, 2003