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Journal of Computer-Aided Molecular Design
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November 2, 2022
Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation
Andreas H Göller
Drug Discovery Today. Technologies
|
January 2, 2021
The art of atom descriptor design
Andreas H Göller
Journal of Computer-Aided Molecular Design
|
February 15, 2021
Editorial special issue on "Quantum Mechanics in Industry"
Andreas H Göller
Journal of Chemical Information and Modeling
|
May 13, 2009
Similarity-based classifier using topomers to provide a knowledge base for hERG channel inhibition
Britta Nisius, Andreas H Göller
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 6, 2026
Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation
Andreas H Göller, Dieudonné T Tshitenge
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 31, 2017
Towards full Quantum-Mechanics-based Protein-Ligand Binding Affinities
Stephan Ehrlich, Andreas H Göller, Stefan Grimme
Chemical Biology & Drug Design
|
January 21, 2009
Combining cluster analysis, feature selection and multiple support vector machine models for the identification of human ether-a-go-go related gene channel blocking compounds
Britta Nisius, Andreas H Göller, Jürgen Bajorath
Drug Discovery Today
|
May 11, 2011
Utility of protein structures in overcoming ADMET-related issues of drug-like compounds
Friederike Stoll, Andreas H Göller, Alexander Hillisch
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 9, 2005
The excited-state chemistry of phycocyanobilin: a semiempirical study
Andreas H Göller, Dietmar Strehlow, Gudrun Hermann
ACS Omega
|
December 19, 2022
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry
Nicolai Ree, Andreas H Göller, Jan H Jensen
Page
of 5
Search research articles
Search
Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Journal of Computer-Aided Molecular Design
|
November 2, 2022
Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation
Andreas H Göller
Drug Discovery Today. Technologies
|
January 2, 2021
The art of atom descriptor design
Andreas H Göller
Journal of Computer-Aided Molecular Design
|
February 15, 2021
Editorial special issue on "Quantum Mechanics in Industry"
Andreas H Göller
Journal of Chemical Information and Modeling
|
May 13, 2009
Similarity-based classifier using topomers to provide a knowledge base for hERG channel inhibition
Britta Nisius, Andreas H Göller
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 6, 2026
Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation
Andreas H Göller, Dieudonné T Tshitenge
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 31, 2017
Towards full Quantum-Mechanics-based Protein-Ligand Binding Affinities
Stephan Ehrlich, Andreas H Göller, Stefan Grimme
Chemical Biology & Drug Design
|
January 21, 2009
Combining cluster analysis, feature selection and multiple support vector machine models for the identification of human ether-a-go-go related gene channel blocking compounds
Britta Nisius, Andreas H Göller, Jürgen Bajorath
Drug Discovery Today
|
May 11, 2011
Utility of protein structures in overcoming ADMET-related issues of drug-like compounds
Friederike Stoll, Andreas H Göller, Alexander Hillisch
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 9, 2005
The excited-state chemistry of phycocyanobilin: a semiempirical study
Andreas H Göller, Dietmar Strehlow, Gudrun Hermann
ACS Omega
|
December 19, 2022
What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry
Nicolai Ree, Andreas H Göller, Jan H Jensen
Page
of 5