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Molecules (Basel, Switzerland)|October 4, 2018
Artificial Intelligence in Drug DesignGerhard Hessler, Karl-Heinz BaringhausDrug Discovery Today. Technologies|July 2, 2014
Fast similarity searching and screening hit analysisKarl-Heinz Baringhaus, Gerhard HesslerMolecular Informatics|July 28, 2015
Fractal Dimensions of Macromolecular StructuresNickolay Todoroff, Jens Kunze, Herman Schreuder, et al.Bioorganic & Medicinal Chemistry|May 8, 2012
Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like moleculesHans Matter, Lennart T Anger, Clemens Giegerich, 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.Natural Product Reports|September 30, 2008
Scaffold diversity of natural products: inspiration for combinatorial library designKristina Grabowski, Karl-Heinz Baringhaus, Gisbert SchneiderJournal of Chemical Information and Modeling|February 18, 2014
Targeting dynamic pockets of HIV-1 protease by structure-based computational screening for allosteric inhibitorsJens Kunze, Nickolay Todoroff, Petra Schneider, et al.Chemmedchem|January 4, 2017
The 2016 Frontiers in Medicinal Chemistry Conference in BonnChrista E Müller, Dominik Thimm, Karl-Heinz BaringhausCombinatorial Chemistry & High Throughput Screening|May 16, 2009
Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variationBjoern A Krueger, Axel Dietrich, Karl-Heinz Baringhaus, et al.Journal of Chemical Information and Modeling|December 21, 2016
Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA CalculationsIdo Y Ben-Shalom, Stefania Pfeiffer-Marek, Karl-Heinz Baringhaus, et al.Pageof 6