Tristan Bereau
Universiteit van Amsterdam
H-index: 25
Europe-Netherlands
Top articles of Tristan Bereau
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Roadmap on Data-Centric Materials Science | Matthias Scheffler Stefan Bauer Peter Benner Tristan Bereau Volker Blum | 2024/3/1 | |
Data-mining unveils structure–property–activity correlation of viral infectivity enhancing self-assembling peptides | Nature Communications | Kübra Kaygisiz Lena Rauch-Wirth Arghya Dutta Xiaoqing Yu Yuki Nagata | 2023/8/23 |
Condensed-phase molecular representation to link structure and thermodynamics in molecular dynamics | Journal of Chemical Theory and Computation | Bernadette Mohr Diego van der Mast Tristan Bereau | 2023/7/3 |
Induced asymmetries in membranes | Biophysical Journal | Martin Girard Tristan Bereau | 2023/6/6 |
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings | Biomaterials Science | Kübra Kaygisiz Arghya Dutta Lena Rauch-Wirth Christopher V Synatschke Jan Münch | 2023 |
Shared metadata for data-centric materials science | Scientific Data | Luca M Ghiringhelli Carsten Baldauf Tristan Bereau Sandor Brockhauser Christian Carbogno | 2023/9/14 |
Data-driven discovery of cardiolipin-selective small molecules by computational active learning | Chemical Science | Bernadette Mohr Kirill Shmilovich Isabel S Kleinwächter Dirk Schneider Andrew L Ferguson | 2022 |
Identifying sequential residue patterns in bitter and umami peptides | ACS Food Science & Technology | Arghya Dutta Tristan Bereau Thomas A Vilgis | 2022/11/9 |
Broad chemical transferability in structure-based coarse-graining | The Journal of Chemical Physics | Kiran H Kanekal Joseph F Rudzinski Tristan Bereau | 2022/9/14 |
Benchmarking coarse-grained models of organic semiconductors via deep backmapping | Frontiers in Chemistry | Marc Stieffenhofer Christoph Scherer Falk May Tristan Bereau Denis Andrienko | 2022/9/9 |
FAIR data enabling new horizons for materials research | Matthias Scheffler Martin Aeschlimann Martin Albrecht Tristan Bereau Hans-Joachim Bungartz | 2022/4/28 | |
CLiB–a novel cardiolipin-binder isolated via data-driven and in vitro screening | RSC chemical biology | Isabel Kleinwächter Bernadette Mohr Aljoscha Joppe Nadja Hellmann Tristan Bereau | 2022 |
Dynamical properties across different coarse-grained models for ionic liquids | Journal of Physics: Condensed Matter | Joseph F Rudzinski Sebastian Kloth Svenja Wörner Tamisra Pal Kurt Kremer | 2021/5/4 |
Reweighting non-equilibrium steady-state dynamics along collective variables | The Journal of Chemical Physics | Marius Bause Tristan Bereau | 2021/4/7 |
Multipolar force fields for amide-I spectroscopy from conformational dynamics of the alanine trimer | The Journal of Physical Chemistry B | Padmabati Mondal Pierre-André Cazade Akshaya K Das Tristan Bereau Markus Meuwly | 2021/9/24 |
The bacteriostatic activity of 2-phenylethanol derivatives correlates with membrane binding affinity | Membranes | Isabel S Kleinwächter Stefanie Pannwitt Alessia Centi Nadja Hellmann Eckhard Thines | 2021/3/31 |
Data-driven equation for drug–membrane permeability across drugs and membranes | The Journal of Chemical Physics | Arghya Dutta Jilles Vreeken Luca M Ghiringhelli Tristan Bereau | 2021/6/28 |
Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability | APL Materials | Marc Stieffenhofer Tristan Bereau Michael Wand | 2021/3/1 |
Computer simulations of lipid regulation by molecular semigrand canonical ensembles | Biophysical Journal | Martin Girard Tristan Bereau | 2021/6/15 |
Computational compound screening of biomolecules and soft materials by molecular simulations | Tristan Bereau | 2021/2/2 |
Co-Authors
