Agnes Meyder

Orcid: 0000-0001-8519-5780

According to our database1, Agnes Meyder authored at least 10 papers between 2016 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Links

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Bibliography

2022
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.
J. Chem. Inf. Model., 2022

2020
Structure Profiling and Geometric Optimization of Protein-Ligand Complexes for the Scoring Function HYDE
PhD thesis, 2020

Proteins<i>Plus</i>: interactive analysis of protein-ligand binding interfaces.
Nucleic Acids Res., 2020

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses.
J. Chem. Inf. Model., 2020

2019
Conformator: A Novel Method for the Generation of Conformer Ensembles.
J. Chem. Inf. Model., 2019

StructureProfiler: an all-in-one tool for 3D protein structure profiling.
Bioinform., 2019

2017
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures.
J. Chem. Inf. Model., October, 2017

ProteinsPlus: a web portal for structure analysis of macromolecules.
Nucleic Acids Res., 2017

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.
J. Chem. Inf. Model., 2017

2016
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules.
J. Chem. Inf. Model., 2016


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