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Agnes Meyder

University of Hamburg

14

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255

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The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.

2022 J. Chem. Inf. Model.
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Antibody loop modelling on a quantum computer.

2021 arXiv: Quantum Physics
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ProteinsPlus: interactive analysis of protein-ligand binding interfaces.

2020 Nucleic Acids Research
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A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses.

2020 Journal of Chemical Information and Modeling
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Conformator: A Novel Method for the Generation of Conformer Ensembles

2019 Journal of Chemical Information and Modeling
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Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein–Ligand Interfaces

2017 Journal of Medicinal Chemistry
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High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators

2017 Journal of Chemical Information and Modeling
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Prediction of protein mutation effects based on dehydration and hydrogen bonding – A large‐scale study

2017 Proteins
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Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures

2017 Journal of Chemical Information and Modeling
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ProteinsPlus: a web portal for structure analysis of macromolecules

2017 Nucleic Acids Research
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Citations (73)