Christian Margreitter
Orcid: 0000-0002-5473-6318
According to our database1,
Christian Margreitter
authored at least 15 papers
between 2013 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.
J. Comput. Aided Mol. Des., August, 2023
2022
Icolos: a workflow manager for structure-based post-processing of <i>de novo</i> generated small molecules.
Bioinform., October, 2022
Nat. Mach. Intell., 2022
Nat. Mach. Intell., 2022
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.
CoRR, 2022
2021
J. Cheminformatics, 2021
J. Cheminformatics, 2021
2020
2018
Nucleic Acids Res., 2018
Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting.
J. Chem. Inf. Model., 2018
2017
Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field.
J. Comput. Chem., 2017
2016
Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting.
J. Chem. Inf. Model., 2016
2013
A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications.
PLoS Comput. Biol., 2013
Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications.
Nucleic Acids Res., 2013