Katrin Spiegel

According to our database, Katrin Spiegel authored at least 5 papers between 2006 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2015

FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard A. Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov

J. Chem. Inf. Model., 2015

2011

Pocket-Space Maps To Identify Novel Binding-Site Conformations in Proteins.

Ian R. Craig, Christopher Pfleger, Holger Gohlke, Jonathan W. Essex, Katrin Spiegel

J. Chem. Inf. Model., 2011

2010

Ensemble Docking into Multiple Crystallographically Derived Protein Structures: An Evaluation Based on the Statistical Analysis of Enrichments.

Ian R. Craig, Jonathan W. Essex, Katrin Spiegel

J. Chem. Inf. Model., 2010

2008

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

Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein

J. Comput. Chem., 2008

2006

Ab initio calculations of intramolecular parameters for a class of arylamide polymers.

Satyavani Vemparala, Ivaylo Ivanov, Vojislava Pophristic, Katrin Spiegel, Michael L. Klein

J. Comput. Chem., 2006