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Molecular Informatics
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September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Molecular Informatics
|
January 8, 2013
The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space
Katrin Stierand, Tim Harder, Thomas Marek, et al.
Journal of Medicinal Chemistry
|
September 7, 2021
Searching Geometric Patterns in Protein Binding Sites and Their Application to Data Mining in Protein Kinase Structures
Joel Graef, Christiane Ehrt, Konrad Diedrich, et al.
Journal of Chemical Information and Modeling
|
January 2, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
Emanuel S R Ehmki, Torben Gutermuth, Tobias Harren, et al.
Journal of Chemical Information and Modeling
|
March 23, 2022
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare
Patrick Penner, Wolfgang Guba, Robert Schmidt, et al.
Journal of Chemical Information and Modeling
|
September 12, 2017
NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures
Therese Inhester, Eva Nittinger, Kai Sommer, et al.
Journal of Chemical Information and Modeling
|
July 24, 2018
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2024
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
Sophia M N Hönig, Torben Gutermuth, Christiane Ehrt, et al.
Archiv Der Pharmazie
|
February 9, 2024
SiteMine: Large-scale binding site similarity searching in protein structure databases
Thorben Reim, Christiane Ehrt, Joel Graef, et al.
Journal of Computer-Aided Molecular Design
|
May 30, 2024
User-centric design of a 3D search interface for protein-ligand complexes
Konrad Diedrich, Christiane Ehrt, Joel Graef, et al.
Page
of 16
Search research articles
Search
Showing results (101-110 of 155) with videos related to
Sort By:
Page
of 16
Molecular Informatics
|
September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Molecular Informatics
|
January 8, 2013
The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space
Katrin Stierand, Tim Harder, Thomas Marek, et al.
Journal of Medicinal Chemistry
|
September 7, 2021
Searching Geometric Patterns in Protein Binding Sites and Their Application to Data Mining in Protein Kinase Structures
Joel Graef, Christiane Ehrt, Konrad Diedrich, et al.
Journal of Chemical Information and Modeling
|
January 2, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
Emanuel S R Ehmki, Torben Gutermuth, Tobias Harren, et al.
Journal of Chemical Information and Modeling
|
March 23, 2022
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare
Patrick Penner, Wolfgang Guba, Robert Schmidt, et al.
Journal of Chemical Information and Modeling
|
September 12, 2017
NAOMInova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures
Therese Inhester, Eva Nittinger, Kai Sommer, et al.
Journal of Chemical Information and Modeling
|
July 24, 2018
Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples
Eva Nittinger, Florian Flachsenberg, Stefan Bietz, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2024
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
Sophia M N Hönig, Torben Gutermuth, Christiane Ehrt, et al.
Archiv Der Pharmazie
|
February 9, 2024
SiteMine: Large-scale binding site similarity searching in protein structure databases
Thorben Reim, Christiane Ehrt, Joel Graef, et al.
Journal of Computer-Aided Molecular Design
|
May 30, 2024
User-centric design of a 3D search interface for protein-ligand complexes
Konrad Diedrich, Christiane Ehrt, Joel Graef, et al.
Page
of 16