Agnes Meyder

Roche (Switzerland) — Switzerland

Biochemistry, Genetics and Molecular Biology · Life Sciences

12h-index1.1kcitations19works0.02yr avg
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Research Topics

Protein Structure and Dynamics(9), Computational Drug Discovery Methods(8), Enzyme Structure and Function(8), Quantum Computing Algorithms and Architecture(4), Machine Learning in Materials Science(3)

Publications19 total

Peptide conformational sampling using the Quantum Approximate Optimization Algorithm
npj Quantum Information·2023· 30 citedOpen Access
Quantum computational quantification of protein–ligand interactions
International Journal of Quantum Chemistry·2022· 56 citedOpen Access
The Prospects of Monte Carlo Antibody Loop Modelling on a Fault-Tolerant Quantum Computer
Frontiers in Drug Discovery·2022· 13 citedOpen Access
Peptide conformational sampling using the Quantum Approximate Optimization Algorithm
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Peptide conformational sampling using the Quantum Approximate Optimization Algorithm
arXiv (Cornell University)·2022· 3 citedOpen Access
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare
Journal of Chemical Information and Modeling·2022· 21 cited
Quantum Computational Quantification of Protein-Ligand Interactions
arXiv (Cornell University)·2021Open Access
Antibody loop modelling on a quantum computer
arXiv (Cornell University)·2021· 1 citedOpen Access
A Consistent Scheme for Gradient-Based Optimization of Protein<b>–</b>Ligand Poses
Journal of Chemical Information and Modeling·2020· 55 cited
ProteinsPlus: interactive analysis of protein–ligand binding interfaces
Nucleic Acids Research·2020· 258 citedOpen Access
Conformator: A Novel Method for the Generation of Conformer Ensembles
Journal of Chemical Information and Modeling·2019· 82 cited
StructureProfiler: an all-in-one tool for 3D protein structure profiling
Bioinformatics·2018· 7 cited
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
Journal of Chemical Information and Modeling·2017· 96 cited
From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library
Journal of Biotechnology·2017· 7 citedOpen Access
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein–Ligand Interfaces
Journal of Medicinal Chemistry·2017· 97 cited
Prediction of protein mutation effects based on dehydration and hydrogen bonding – A large‐scale study
Proteins Structure Function and Bioinformatics·2017· 1 cited
ProteinsPlus: a web portal for structure analysis of macromolecules
Nucleic Acids Research·2017· 253 citedOpen Access
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators
Journal of Chemical Information and Modeling·2017· 104 cited
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules
Journal of Chemical Information and Modeling·2015· 48 cited

Frequent Co-authors

Matthias Rarey(12), Florian Flachsenberg(7), Eva Nittinger(6), Stanisław Adaszewski(5), Rainer Fährrolfes(4), Stefan Bietz(4), Kai Sommer(4), Wolfgang Guba(4), Martin Strahm(4), Nils‐Ole Friedrich(3), Karen T. Schomburg(3), Gudrun Lange(3), Robert J. Klein(3), Sami Boulebnane(3), Xavier Lucas(3), Ashley Montanaro(3), Thomas D. Otto(2), Andrea Volkamer(2), Johannes Kirchmair(2), Therese Inhester(2)