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Future Medicinal Chemistry|March 1, 2014
Predictive in silico off-target profiling in drug discoveryFriedemann Schmidt, Hans Matter, Gerhard Hessler, et al.Chemmedchem|October 1, 2021
Application of Deep Neural Network Models in Drug Discovery ProgramsChristoph Grebner, Hans Matter, Daniel Kofink, et al.Journal of Chemical Information and Modeling|August 25, 2012
3D-QSAR based on quantum-chemical molecular fields: toward an improved description of halogen interactionsStefan Güssregen, Hans Matter, Gerhard Hessler, et al.Molecular Informatics|July 29, 2016
Identification and Application of Antitarget Activity Hotspots to Guide Compound OptimizationGerhard Hessler, Hans Matter, Friedemann Schmidt, et al.Methods in Molecular Biology (Clifton, N.J.)|November 3, 2021
Artificial Intelligence in Compound DesignChristoph Grebner, Hans Matter, Gerhard HesslerJournal of Chemical Information and Modeling|January 8, 2019
Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data SetsJan Wenzel, Hans Matter, Friedemann SchmidtFrontiers in Chemistry|November 7, 2022
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methodsSusanne Sauer, Hans Matter, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|January 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy SimulationsDaniel Cappel, Steven Jerome, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|September 5, 2023
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement LearningSusanne Sauer, Hans Matter, Gerhard Hessler, et al.Journal of Medicinal Chemistry|August 19, 2005
Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocolsAndreas Evers, Gerhard Hessler, Hans Matter, et al.Pageof 13