E-LIB Suche - Ergebnisse für: Bereau, Tristan

1

Roadmap on Data-Centric Materials Science:

Bauer, Stefan ; Benner, Peter ; Bereau, Tristan...
Modelling and Simulation in Materials Science and Engineering. , 2024

Link: https://doi.org/10.1088/..

2

Shared metadata for data-centric materials science:

Ghiringhelli, Luca M. ; Baldauf, Carsten ; Bereau, Tristan...
Scientific Data. 10 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

3

Condensed-Phase Molecular Representation to Link Structure ..:

Mohr, Bernadette ; van der Mast, Diego ; Bereau, Tristan
Journal of Chemical Theory and Computation. 19 (2023) 14 - p. 4770-4779 , 2023

Link: https://doi.org/10.1021/..

4

Inverse design of viral infectivity-enhancing peptide fibri..:

Kaygisiz, Kübra ; Dutta, Arghya ; Rauch-Wirth, Lena...
Biomaterials Science. 11 (2023) 15 - p. 5251-5261 , 2023

Link: https://doi.org/10.1039/..

5

Induced asymmetries in membranes:

Girard, Martin ; Bereau, Tristan
Biophysical Journal. 122 (2023) 11 - p. 2092-2098 , 2023

Link: https://doi.org/10.1016/..

6

Data-mining unveils structure–property–activity correlation..:

Kaygisiz, Kübra ; Rauch-Wirth, Lena ; Dutta, Arghya...
Nature Communications. 14 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

7

Benchmarking coarse-grained models of organic semiconductor..:

Stieffenhofer, Marc ; Scherer, Christoph ; May, Falk..
Frontiers in Chemistry. 10 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

8

Broad chemical transferability in structure-based coarse-gr..:

Kanekal, Kiran H. ; Rudzinski, Joseph F. ; Bereau, Tristan
The Journal of Chemical Physics. 157 (2022) 10 - p. , 2022

Link: https://doi.org/10.1063/..

9

Identifying Sequential Residue Patterns in Bitter and Umami..:

Dutta, Arghya ; Bereau, Tristan ; Vilgis, Thomas A.
ACS Food Science & Technology. 2 (2022) 11 - p. 1773-1780 , 2022

Link: https://doi.org/10.1021/..

10

Data-driven discovery of cardiolipin-selective small molecu..:

Mohr, Bernadette ; Shmilovich, Kirill ; Kleinwächter, Isabel S....
Chemical Science. 13 (2022) 16 - p. 4498-4511 , 2022

Link: https://doi.org/10.1039/..

11

CLiB – a novel cardiolipin-binder isolated via data-driven ..:

Kleinwächter, Isabel ; Mohr, Bernadette ; Joppe, Aljoscha...
RSC Chemical Biology. 3 (2022) 7 - p. 941-954 , 2022

Link: https://doi.org/10.1039/..

12

Data-driven equation for drug–membrane permeability across ..:

Dutta, Arghya ; Vreeken, Jilles ; Ghiringhelli, Luca M..
The Journal of Chemical Physics. 154 (2021) 24 - p. , 2021

Link: https://doi.org/10.1063/..

13

Dynamical properties across different coarse-grained models..:

Rudzinski, Joseph F ; Kloth, Sebastian ; Wörner, Svenja...
Journal of Physics: Condensed Matter. 33 (2021) 22 - p. 224001 , 2021

Link: https://doi.org/10.1088/..

14

Publisher's Note: "Data-driven equation for drug–membrane p..:

Dutta, Arghya ; Vreeken, Jilles ; Ghiringhelli, Luca M..
The Journal of Chemical Physics. 155 (2021) 3 - p. , 2021

Link: https://doi.org/10.1063/..

15

The Bacteriostatic Activity of 2-Phenylethanol Derivatives ..:

Kleinwächter, Isabel S. ; Pannwitt, Stefanie ; Centi, Alessia...
Membranes. 11 (2021) 4 - p. 254 , 2021

Link: https://doi.org/10.3390/..