Luis J Walter

4PUBLICATIONS
6CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistryComputational complexity and computabilityProteomics and metabolomics
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Journal

Publications (4)

|Dec 20, 2025
Fast Parametrization of Martini3 Models for Fragments and Small Molecules.

Magdalena Szczuka, Gilberto P Pereira, Luis J Walter

|Aug 11, 2025
Navigating chemical space: multi-level Bayesian optimization with hierarchical coarse-graining.

Luis J Walter, Tristan Bereau

|Dec 02, 2024
Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations.

Tristan Bereau, Luis J Walter, Joseph F Rudzinski

|Apr 11, 2024
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations.

Luis J Walter, Patrick K Quoika, Martin Zacharias

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Frequent Collaborators

3 joint publications

Tristan Bereau

1 joint publications

Patrick K Quoika

1 joint publications

Martin Zacharias

1 joint publications

Joseph F Rudzinski