E-LIB Suche - Ergebnisse für: Mey, S.

1

Sire: An interoperability engine for prototyping algorithms..:

Woods, Christopher J. ; Hedges, Lester O. ; Mulholland, Adrian J....
The Journal of Chemical Physics. 160 (2024) 20 - p. , 2024

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

2

Markov State Models: To Optimize or Not to Optimize:

Arbon, Robert E. ; Zhu, Yanchen ; Mey, Antonia S. J. S.
Journal of Chemical Theory and Computation. 20 (2024) 2 - p. 977-988 , 2024

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

3

Benchmarking Active Learning Protocols for Ligand-Binding A..:

Gorantla, Rohan ; Kubincová, Alžbeta ; Suutari, Benjamin..
Journal of Chemical Information and Modeling. 64 (2024) 6 - p. 1955-1965 , 2024

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

4

What geometrically constrained models can tell us about rea..:

Jasmin Güven, J ; Molkenthin, Nora ; Mühle, Steffen.
Physical Biology. 20 (2023) 4 - p. 046004 , 2023

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

5

From Proteins to Ligands: Decoding Deep Learning Methods fo..:

Gorantla, Rohan ; Kubincová, Alžbeta ; Weiße, Andrea Y..
Journal of Chemical Information and Modeling. 64 (2023) 7 - p. 2496-2507 , 2023

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

6

SILVR: Guided Diffusion for Molecule Generation:

Runcie, Nicholas T. ; Mey, Antonia S.J.S.
Journal of Chemical Information and Modeling. 63 (2023) 19 - p. 5996-6005 , 2023

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

7

Efficient Purification of Cowpea Chlorotic Mottle Virus by ..:

Tscheuschner, Georg ; Ponader, Marco ; Raab, Christopher...
Viruses. 15 (2023) 3 - p. 697 , 2023

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

8

MO-0141 Sulfasalazine radiosensitizes hypoxic colorectal ca..:

Kerkhove, L. ; Dufait, I. ; De Ridder, M....
Radiotherapy and Oncology. 170 (2022) - p. S116 , 2022

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

9

Implementation of the QUBE Force Field in SOMD for High-Thr..:

Nelson, Lauren ; Bariami, Sofia ; Ringrose, Chris...
Journal of Chemical Information and Modeling. 61 (2021) 5 - p. 2124-2130 , 2021

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

10

PO-1928 Radiation cooperates with modulation of serine in h..:

Van De Gucht, M. ; Dufait, I. ; Demesmaeker, E....
Radiotherapy and Oncology. 161 (2021) - p. S1643 , 2021

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

11

PO-1927 Disulfiram radiosensitizes hypoxic human colorectal..:

Van De Gucht, M. ; Dufait, I. ; Jiang, H....
Radiotherapy and Oncology. 161 (2021) - p. S1642-S1643 , 2021

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

12

Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand..:

Cho, Eunice ; Rosa, Margarida ; Anjum, Ruhi...
Journal of Chemical Information and Modeling. 61 (2021) 6 - p. 3058-3073 , 2021

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

13

Self-organized emergence of folded protein-like network str..:

Molkenthin, Nora ; Mühle, Steffen ; Mey, Antonia S. J. S...
PLOS ONE. 15 (2020) 2 - p. e0229230 , 2020

Link: https://doi.org/10.1371/..

14

Dynamic design: manipulation of millisecond timescale motio..:

Juárez-Jiménez, Jordi ; Gupta, Arun A. ; Karunanithy, Gogulan...
Chemical Science. 11 (2020) 10 - p. 2670-2680 , 2020

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

15

Assessment of Binding Affinity via Alchemical Free-Energy C..:

Kuhn, Maximilian ; Firth-Clark, Stuart ; Tosco, Paolo...
Journal of Chemical Information and Modeling. 60 (2020) 6 - p. 3120-3130 , 2020

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