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Gerhard Hessler

Showing results (21-30 of 46) with videos related to

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Journal of Chemical Information and Modeling|June 2, 2017
Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand SeriesStefan Güssregen, Hans Matter, Gerhard Hessler, et al.
Molecular Informatics|July 28, 2015
Fractal Dimensions of Macromolecular StructuresNickolay Todoroff, Jens Kunze, Herman Schreuder, et al.
Journal of Computer-Aided Molecular Design|October 20, 2020
Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?Nicolas Tielker, Lukas Eberlein, Gerhard Hessler, 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.
Journal of Medicinal Chemistry|October 14, 2005
Multiple-ligand-based virtual screening: methods and applications of the MTree approachGerhard Hessler, Marc Zimmermann, Hans Matter, et al.
Chembiochem : a European Journal of Chemical Biology|April 29, 2024
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity RelationshipsAlex Kötter, Stephan Allenspach, Christoph Grebner, 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.
Journal of Enzyme Inhibition and Medicinal Chemistry|October 22, 2003
Discovery and evaluation of terephthalic acid derivatives as potent alpha4beta1 integrin antagonistsGerhard Müller, Markus Albers, Gerhard Hessler, et al.
Journal of Medicinal Chemistry|October 5, 2020
Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and ProteinsDan Sindhikara, Michael Wagner, Paraskevi Gkeka, et al.
Journal of Chemical Information and Modeling|July 13, 2017
The hpCADD NDDO Hamiltonian: ParametrizationHeike B Thomas, Matthias Hennemann, Patrick Kibies, et al.
Pageof 5

Showing results (21-30 of 46) with videos related to

Sort By:
Pageof 5
Journal of Chemical Information and Modeling|June 2, 2017
Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand SeriesStefan Güssregen, Hans Matter, Gerhard Hessler, et al.
Molecular Informatics|July 28, 2015
Fractal Dimensions of Macromolecular StructuresNickolay Todoroff, Jens Kunze, Herman Schreuder, et al.
Journal of Computer-Aided Molecular Design|October 20, 2020
Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?Nicolas Tielker, Lukas Eberlein, Gerhard Hessler, 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.
Journal of Medicinal Chemistry|October 14, 2005
Multiple-ligand-based virtual screening: methods and applications of the MTree approachGerhard Hessler, Marc Zimmermann, Hans Matter, et al.
Chembiochem : a European Journal of Chemical Biology|April 29, 2024
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity RelationshipsAlex Kötter, Stephan Allenspach, Christoph Grebner, 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.
Journal of Enzyme Inhibition and Medicinal Chemistry|October 22, 2003
Discovery and evaluation of terephthalic acid derivatives as potent alpha4beta1 integrin antagonistsGerhard Müller, Markus Albers, Gerhard Hessler, et al.
Journal of Medicinal Chemistry|October 5, 2020
Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and ProteinsDan Sindhikara, Michael Wagner, Paraskevi Gkeka, et al.
Journal of Chemical Information and Modeling|July 13, 2017
The hpCADD NDDO Hamiltonian: ParametrizationHeike B Thomas, Matthias Hennemann, Patrick Kibies, et al.
Pageof 5