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Biochimica Et Biophysica Acta|December 3, 2014
Extension of the free energy workflow FEW towards implicit solvent/implicit membrane MM-PBSA calculationsNadine Homeyer, Holger GohlkeMolecular Informatics|August 2, 2016
Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area MethodNadine Homeyer, Holger GohlkeJournal of Chemical Information and Modeling|December 15, 2022
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid InteractionsTill El Harrar, Holger GohlkeCurrent Medicinal Chemistry|October 5, 2006
Targeting protein-protein interactions with small molecules: challenges and perspectives for computational binding epitope detection and ligand findingDomingo González-Ruiz, Holger GohlkePlos One|June 23, 2017
Ligand-mediated and tertiary interactions cooperatively stabilize the P1 region in the guanine-sensing riboswitchChristian A Hanke, Holger GohlkeJournal of Chemical Information and Modeling|October 3, 2009
Steering protein-ligand docking with quantitative NMR chemical shift perturbationsDomingo González-Ruiz, Holger GohlkeBiophysical Journal|July 4, 2006
A natural coarse graining for simulating large biomolecular motionHolger Gohlke, M F ThorpeJournal of Computational Chemistry|December 4, 2003
Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-RafHolger Gohlke, David A CaseJournal of Chemical Information and Modeling|May 24, 2019
PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System BuildingStephan Schott-Verdugo, Holger GohlkeNucleic Acids Research|June 1, 2010
DrugScorePPI webserver: fast and accurate in silico alanine scanning for scoring protein-protein interactionsDennis M Krüger, Holger GohlkePageof 28