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Journal of Chemical Theory and Computation|June 23, 2021
TopDomain: Exhaustive Protein Domain Boundary Metaprediction Combining Multisource Information and Deep LearningDaniel Mulnaes, Pegah Golchin, Filip Koenig, 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: DrugScore<sup>2018</sup>Jonas 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.BMC Bioinformatics|January 7, 2017
KinMap: a web-based tool for interactive navigation through human kinome dataSameh Eid, Samo Turk, Andrea Volkamer, 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.Journal of Chemical Theory and Computation|October 19, 2021
TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural NetworksDaniel Mulnaes, Stephan Schott-Verdugo, Filip Koenig, et al.Pageof 30