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Journal of Chemical Information and Modeling
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December 19, 2015
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules
Wolfgang Guba, Agnes Meyder, Matthias Rarey, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, Kai Sommer, et al.
Journal of Chemical Information and Modeling
|
October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Agnes Meyder, Eva Nittinger, Gudrun Lange, 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
|
February 13, 2019
Conformator: A Novel Method for the Generation of Conformer Ensembles
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, et al.
Bioinformatics (Oxford, England)
|
August 21, 2018
StructureProfiler: an all-in-one tool for 3D protein structure profiling
Agnes Meyder, Stefanie Kampen, Jochen Sieg, et al.
Journal of Medicinal Chemistry
|
May 13, 2017
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces
Eva Nittinger, Therese Inhester, Stefan Bietz, et al.
Nucleic Acids Research
|
May 5, 2017
ProteinsPlus: a web portal for structure analysis of macromolecules
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, et al.
Journal of Chemical Information and Modeling
|
February 17, 2017
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators
Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, et al.
Nucleic Acids Research
|
April 17, 2020
ProteinsPlus: interactive analysis of protein-ligand binding interfaces
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
December 19, 2015
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules
Wolfgang Guba, Agnes Meyder, Matthias Rarey, et al.
Journal of Chemical Information and Modeling
|
December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses
Florian Flachsenberg, Agnes Meyder, Kai Sommer, et al.
Journal of Chemical Information and Modeling
|
October 6, 2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Agnes Meyder, Eva Nittinger, Gudrun Lange, 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
|
February 13, 2019
Conformator: A Novel Method for the Generation of Conformer Ensembles
Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, et al.
Bioinformatics (Oxford, England)
|
August 21, 2018
StructureProfiler: an all-in-one tool for 3D protein structure profiling
Agnes Meyder, Stefanie Kampen, Jochen Sieg, et al.
Journal of Medicinal Chemistry
|
May 13, 2017
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces
Eva Nittinger, Therese Inhester, Stefan Bietz, et al.
Nucleic Acids Research
|
May 5, 2017
ProteinsPlus: a web portal for structure analysis of macromolecules
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, et al.
Journal of Chemical Information and Modeling
|
February 17, 2017
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators
Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, et al.
Nucleic Acids Research
|
April 17, 2020
ProteinsPlus: interactive analysis of protein-ligand binding interfaces
Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, et al.
Page
of 2