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Stroet, Martin
41
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Online (41)
Mediatypes
Articles (Online) (18)
OpenAccess-fulltext (23)
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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
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/..
?
4
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/..
?
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
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/..
?
7
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/..
?
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
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/..
?
10
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/..
?
11
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/..
?
12
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/..
?
13
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/..
?
14
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/..
?
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/..
1-15