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Journal of Chemical Information and Modeling|August 14, 2012
Alignment-independent comparison of binding sites based on DrugScore potential fields encoded by 3D Zernike descriptorsBritta Nisius, Holger GohlkeThe Journal of Chemical Physics|June 15, 2020
AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberToolsBastian Schepers, Holger GohlkeScientific Reports|April 12, 2018
On the contributing role of the transmembrane domain for subunit-specific sensitivity of integrin activationGiulia Pagani, Holger GohlkeProteins|January 20, 2011
Protein rigidity and thermophilic adaptationSebastian Radestock, Holger GohlkeProteins|September 12, 2007
Predicting transmembrane helix pair configurations with knowledge-based distance-dependent pair potentialsChristina Wendel, Holger GohlkeJournal of Medicinal Chemistry|September 6, 2002
DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular proteinHolger Gohlke, Gerhard KlebeAngewandte Chemie (International Ed. in English)|August 31, 2002
Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptorsHolger Gohlke, Gerhard KlebeBioorganic & Medicinal Chemistry|September 15, 2019
C-terminal modulators of heat shock protein of 90 kDa (HSP90): State of development and modes of actionDavid Bickel, Holger GohlkeProteins|February 24, 2006
Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theoryAqeel Ahmed, Holger GohlkeJournal of Computational Chemistry|January 5, 2013
FEW: a workflow tool for free energy calculations of ligand bindingNadine Homeyer, Holger GohlkePageof 30