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Katrin Spiegel

Showing results (1-10 of 14) with videos related to

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Organic & Biomolecular Chemistry|June 23, 2006
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulationsKatrin Spiegel, Alessandra Magistrato
The Journal of Physical Chemistry. B|February 24, 2006
Duocarmycins binding to DNA investigated by molecular simulationKatrin Spiegel, Ursula Rothlisberger, Paolo Carloni
Journal of Chemical Information and Modeling|March 13, 2010
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichmentsIan R Craig, Jonathan W Essex, Katrin Spiegel
Proteins|August 19, 2006
Structural and dynamical properties of manganese catalase and the synthetic protein DF1 and their implication for reactivity from classical molecular dynamics calculationsKatrin Spiegel, William F De Grado, Michael L Klein
The Journal of Physical Chemistry. B|February 24, 2006
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulationsAlessandra Magistrato, Paolo Ruggerone, Katrin Spiegel, et al.
The Journal of Physical Chemistry. B|October 12, 2007
Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistanceKatrin Spiegel, Alessandra Magistrato, Paolo Carloni, et al.
Journal of Computational Chemistry|April 25, 2006
Ab initio calculations of intramolecular parameters for a class of arylamide polymersSatyavani Vemparala, Ivaylo Ivanov, Vojislava Pophristic, et al.
Journal of Chemical Information and Modeling|September 14, 2011
Pocket-space maps to identify novel binding-site conformations in proteinsIan R Craig, Christopher Pfleger, Holger Gohlke, et al.
Journal of Structural Biology|December 26, 2006
Modeling the charge distribution at metal sites in proteins for molecular dynamics simulationsM Dal Peraro, Katrin Spiegel, Guillaume Lamoureux, et al.
Journal of Computational Chemistry|August 21, 2007
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedureKatrin Spiegel, Alessandra Magistrato, Patrick Maurer, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Organic & Biomolecular Chemistry|June 23, 2006
Modeling anticancer drug-DNA interactions via mixed QM/MM molecular dynamics simulationsKatrin Spiegel, Alessandra Magistrato
The Journal of Physical Chemistry. B|February 24, 2006
Duocarmycins binding to DNA investigated by molecular simulationKatrin Spiegel, Ursula Rothlisberger, Paolo Carloni
Journal of Chemical Information and Modeling|March 13, 2010
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichmentsIan R Craig, Jonathan W Essex, Katrin Spiegel
Proteins|August 19, 2006
Structural and dynamical properties of manganese catalase and the synthetic protein DF1 and their implication for reactivity from classical molecular dynamics calculationsKatrin Spiegel, William F De Grado, Michael L Klein
The Journal of Physical Chemistry. B|February 24, 2006
Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulationsAlessandra Magistrato, Paolo Ruggerone, Katrin Spiegel, et al.
The Journal of Physical Chemistry. B|October 12, 2007
Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistanceKatrin Spiegel, Alessandra Magistrato, Paolo Carloni, et al.
Journal of Computational Chemistry|April 25, 2006
Ab initio calculations of intramolecular parameters for a class of arylamide polymersSatyavani Vemparala, Ivaylo Ivanov, Vojislava Pophristic, et al.
Journal of Chemical Information and Modeling|September 14, 2011
Pocket-space maps to identify novel binding-site conformations in proteinsIan R Craig, Christopher Pfleger, Holger Gohlke, et al.
Journal of Structural Biology|December 26, 2006
Modeling the charge distribution at metal sites in proteins for molecular dynamics simulationsM Dal Peraro, Katrin Spiegel, Guillaume Lamoureux, et al.
Journal of Computational Chemistry|August 21, 2007
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedureKatrin Spiegel, Alessandra Magistrato, Patrick Maurer, et al.
Pageof 2