E-LIB Suche - Ergebnisse für: Stroet, Martin

1

On the Validation of Protein Force Fields Based on Structur..:

Stroet, Martin ; Setz, Martina ; Lee, Thomas...
The Journal of Physical Chemistry B. 128 (2024) 19 - p. 4602-4620 , 2024

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

2

Self-cyclisation as a general and efficient platform for pe..:

Jia, Xinying ; Chin, Yanni K.-Y. ; Zhang, Alan H....
Communications Chemistry. 6 (2023) 1 - p. , 2023

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

3

OFraMP: a fragment-based tool to facilitate the parametriza..:

Stroet, Martin ; Caron, Bertrand ; Engler, Martin S....
Journal of Computer-Aided Molecular Design. 37 (2023) 8 - p. 357-371 , 2023

Link: https://doi.org/10.1007/..

4

Facilitating the structural characterisation of non-canonic..:

Kuschert, Sarah ; Stroet, Martin ; Chin, Yanni Ka-Yan...
Magnetic Resonance. 4 (2023) 1 - p. 57-72 , 2023

Link: https://doi.org/10.5194/..

5

Engineering Transferable Atomic Force Fields: Empirical Opt..:

Zhou, Zihan ; Mark, Alan E. ; Stroet, Martin
Journal of Chemical Theory and Computation. , 2023

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

6

Understanding the Effect of pH on the Solubility and Aggreg..:

Lan, Tu ; Wu, Peng ; Liu, Ziyi...
Environmental Science & Technology. 56 (2022) 2 - p. 917-927 , 2022

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

7

PyThinFilm: Automated Molecular Dynamics Simulation Protoco..:

Stroet, Martin ; Sanderson, Stephen ; Sanzogni, Audrey V....
Journal of Chemical Information and Modeling. 63 (2022) 1 - p. 2-8 , 2022

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

8

Curved or linear? Predicting the 3‐dimensional structure of..:

van den Bergen, Glen ; Stroet, Martin ; Caron, Bertrand..
FEBS Letters. 594 (2019) 6 - p. 1062-1080 , 2019

Link: https://doi.org/10.1002/..

9

Automated Topology Builder Version 3.0: Prediction of Solva..:

Stroet, Martin ; Caron, Bertrand ; Visscher, Koen M....
Journal of Chemical Theory and Computation. 14 (2018) 11 - p. 5834-5845 , 2018

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

10

Predicting the Prevalence of Alternative Warfarin Tautomers..:

Malde, Alpeshkumar K. ; Stroet, Martin ; Caron, Bertrand..
Journal of Chemical Theory and Computation. 14 (2018) 8 - p. 4405-4415 , 2018

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

11

Elucidating the Spatial Arrangement of Emitter Molecules in..:

Tonnelé, Claire ; Stroet, Martin ; Caron, Bertrand...
Angewandte Chemie International Edition. 56 (2017) 29 - p. 8402-8406 , 2017

Link: https://doi.org/10.1002/..

12

Optimization of Empirical Force Fields by Parameter Space M..:

Stroet, Martin ; Koziara, Katarzyna B. ; Malde, Alpeshkumar K..
Journal of Chemical Theory and Computation. 13 (2017) 12 - p. 6201-6212 , 2017

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

13

The Molecular Origin of Anisotropic Emission in an Organic ..:

Lee, Thomas ; Caron, Bertrand ; Stroet, Martin...
Nano Letters. 17 (2017) 10 - p. 6464-6468 , 2017

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

14

Elucidating the Spatial Arrangement of Emitter Molecules in..:

Tonnelé, Claire ; Stroet, Martin ; Caron, Bertrand...
Angewandte Chemie. 129 (2017) 29 - p. 8522-8526 , 2017

Link: https://doi.org/10.1002/..

15

Real Cost of Speed: The Effect of a Time-Saving Multiple-Ti..:

Reißer, Sabine ; Poger, David ; Stroet, Martin.
Journal of Chemical Theory and Computation. 13 (2017) 6 - p. 2367-2372 , 2017

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