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Journal of Biotechnology|February 14, 2012
Thermostabilizing mutations preferentially occur at structural weak spots with a high mutation ratioPrakash C Rathi, Sebastian Radestock, Holger GohlkeBioinformatics (Oxford, England)|March 8, 2023
TopEnzyme: a framework and database for structural coverage of the functional enzyme spaceKarel J van der Weg, Holger GohlkeJournal of Chemical Information and Modeling|October 18, 2012
How good are state-of-the-art docking tools in predicting ligand binding modes in protein-protein interfaces?Dennis M Krüger, Gisela Jessen, Holger GohlkeJournal of Chemical Information and Modeling|November 14, 2017
Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound OptimizationSamo Turk, Benjamin Merget, Friedrich Rippmann, et al.Proteins|June 24, 2004
Change in protein flexibility upon complex formation: analysis of Ras-Raf using molecular dynamics and a molecular framework approachHolger Gohlke, Leslie A Kuhn, David A CaseBiological Chemistry|May 7, 2021
Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspectsBenedikt Frieg, Boris Görg, Holger Gohlke, et al.Biophysical Journal|April 9, 2026
LignAmb25: A Comprehensive AMBER Force Field Addressing Lignin's Structural and Chemical DiversityMarco Lapsien, Michele Bonus, Julian Greb, et al.Journal of Chemical Information and Modeling|June 7, 2011
A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteinsAqeel Ahmed, Friedrich Rippmann, Gerhard Barnickel, et al.Journal of Medicinal Chemistry|September 30, 2005
DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity predictionHans F G Velec, Holger Gohlke, Gerhard KlebeRSC Medicinal Chemistry|May 2, 2025
Human chitinases and chitinase-like proteins as emerging drug targets - a medicinal chemistry perspectiveÖnder Kurç, Nick Rähse, Holger Gohlke, et al.Pageof 30