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Proteins|June 7, 2019
Modeling conformational flexibility of kinases in inactive statesDominik Schwarz, Benjamin Merget, Charlotte Deane, et al.Nucleic Acids Research|June 7, 2012
NMSim web server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteinsDennis M Krüger, Aqeel Ahmed, Holger GohlkeJournal of Chemical Information and Modeling|September 29, 2023
LISTER: Semiautomatic Metadata Extraction from Annotated Experiment Documentation in eLabFTWFathoni A Musyaffa, Kirsten Rapp, Holger GohlkeBioinformatics (Oxford, England)|March 15, 2015
VisualCNA: a GUI for interactive constraint network analysis and protein engineering for improving thermostabilityPrakash Chandra Rathi, Daniel Mulnaes, Holger GohlkeJournal of Medicinal Chemistry|May 3, 2002
Docking into knowledge-based potential fields: a comparative evaluation of DrugScoreChristoph A Sotriffer, Holger Gohlke, Gerhard KlebeBiophysical Journal|April 29, 2008
Starting structure dependence of NMR order parameters derived from MD simulations: implications for judging force-field qualityAlrun N Koller, Harald Schwalbe, Holger GohlkeJournal of Chemical Information and Modeling|August 9, 2021
F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in MetabolismDaniel Becker, Prasad V Bharatam, Holger GohlkeJournal of Chemical Information and Modeling|July 12, 2024
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6Daniel Becker, Prasad V Bharatam, Holger GohlkeJournal of Medicinal Chemistry|May 11, 2018
From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical CandidateSamo Turk, Benjamin Merget, Sameh Eid, et al.Journal of Molecular Biology|July 10, 2003
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexesHolger Gohlke, Christina Kiel, David A CasePageof 30