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Hannes Kopitz
Hannes Kopitz
University of Düsseldorf
Chemistry
Computational chemistry
Bioinformatics
Docking (dog)
Molecular dynamics
5
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169
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Rigidity Theory-Based Approximation of Vibrational Entropy Changes upon Binding to Biomolecules
2017
Journal of Chemical Theory and Computation
Holger Gohlke
Ido Y. Ben-Shalom
Hannes Kopitz
Stefania Pfeiffer-Marek
Karl-Heinz Baringhaus
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Citations (18)
Influence of the solvent representation on vibrational entropy calculations: Generalized born versus distance‐dependent dielectric model
2012
Journal of Computational Chemistry
Hannes Kopitz
Daniel A. Cashman
Stefania Pfeiffer-Marek
Holger Gohlke
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Citations (14)
Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein-protein interface.
2012
Journal of Chemical Information and Modeling
Alexander Metz
Christopher Pfleger
Hannes Kopitz
Stefania Pfeiffer-Marek
Karl-Heinz Baringhaus
Holger Gohlke
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Citations (105)
Protein Flexibility in In Silico Screening
2010
Burger's Medicinal Chemistry and Drug Discovery
Holger Gohlke
Hannes Kopitz
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Determinants of the Unexpected Stability of RNA Fluorobenzene Self Pairs
2008
ChemBioChem
Hannes Kopitz
Aleksandra Zivkovic
Joachim W. Engels
Holger Gohlke
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Citations (32)
1