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RSC 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.Plos One|July 7, 2015
Structural Rigidity and Protein Thermostability in Variants of Lipase A from Bacillus subtilisPrakash Chandra Rathi, Karl-Erich Jaeger, Holger GohlkeJournal of Chemical Information and Modeling|December 5, 2018
Converging a Knowledge-Based Scoring Function: DrugScore2018Jonas Dittrich, Denis Schmidt, Christopher Pfleger, et al.Scientific Reports|July 13, 2019
Isoform-specific Inhibition of N-methyl-D-aspartate Receptors by Bile SaltsAngela Koch, Michele Bonus, Holger Gohlke, et al.Journal of Chemical Information and Modeling|January 21, 2014
Quality matters: extension of clusters of residues with good hydrophobic contacts stabilize (hyper)thermophilic proteinsPrakash Chandra Rathi, Hans Wolfgang Höffken, Holger GohlkeJournal of Computational Chemistry|September 26, 2012
Global and local indices for characterizing biomolecular flexibility and rigidityChristopher Pfleger, Sebastian Radestock, Elena Schmidt, et al.Journal of Chemical Theory and Computation|November 21, 2015
Binding Free Energy Calculations for Lead Optimization: Assessment of Their Accuracy in an Industrial Drug Design ContextNadine Homeyer, Friederike Stoll, Alexander Hillisch, et al.ACS Medicinal Chemistry Letters|June 6, 2014
Target Flexibility in RNA-Ligand Docking Modeled by Elastic Potential GridsDennis M Krüger, Johannes Bergs, Sina Kazemi, et al.Nucleic Acids Research|July 24, 2015
Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunitSimone Fulle, Jagmohan S Saini, Nadine Homeyer, et al.Journal of Chemical Information and Modeling|August 24, 2010
HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulationsSimone Fulle, Nina Alexandra Christ, Eva Kestner, et al.Pageof 28