E-LIB Suche - Ergebnisse für: Ensing, Bernd

1

Redox Properties of Flavin in BLUF and LOV Photoreceptor Pr..:

Kılıç, Murat ; Ensing, Bernd
The Journal of Physical Chemistry B. 128 (2024) 13 - p. 3069-3080 , 2024

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

2

Enhancing LC×LC separations through multi-task Bayesian opt..:

Boelrijk, Jim ; Molenaar, Stef R.A. ; Bos, Tijmen S....
Journal of Chromatography A. 1726 (2024) - p. 464941 , 2024

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

3

Simulation of solid-state phase transition indl-methionine:

Ghasemlou, Saba ; Ensing, Bernd ; Cuppen, Herma M.
CrystEngComm. 25 (2023) 25 - p. 3618-3627 , 2023

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

4

Closed-loop automatic gradient design for liquid chromatogr..:

Boelrijk, Jim ; Ensing, Bernd ; Forré, Patrick.
Analytica Chimica Acta. 1242 (2023) - p. 340789 , 2023

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

5

Predicting RP-LC retention indices of structurally unknown ..:

Boelrijk, Jim ; van Herwerden, Denice ; Ensing, Bernd..
Journal of Cheminformatics. 15 (2023) 1 - p. , 2023

Link: https://doi.org/10.1186/..

6

Fast Proton Transport in FeFe Hydrogenase via a Flexible Ch..:

Puthenkalathil, Rakesh C. ; Ensing, Bernd
The Journal of Physical Chemistry B. 126 (2022) 2 - p. 403-411 , 2022

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

7

Sequence dependence of transient Hoogsteen base pairing in ..:

Pérez de Alba Ortíz, Alberto ; Vreede, Jocelyne ; Ensing, Bernd.
PLOS Computational Biology. 18 (2022) 5 - p. e1010113 , 2022

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

8

Chemometric Strategies for Fully Automated Interpretive Met..:

Bos, Tijmen S. ; Boelrijk, Jim ; Molenaar, Stef R. A....
Analytical Chemistry. 94 (2022) 46 - p. 16060-16068 , 2022

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

9

Discovering Collective Variables of Molecular Transitions v..:

Hooft, Ferry ; Pérez de Alba Ortíz, Alberto ; Ensing, Bernd
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2294-2306 , 2021

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

10

Frontiers in Multiscale Modeling of Photoreceptor Proteins:

Mroginski, Maria‐Andrea ; Adam, Suliman ; Amoyal, Gil S....
Photochemistry and Photobiology. 97 (2021) 2 - p. 243-269 , 2021

Link: https://doi.org/10.1111/..

11

Strong Reduction of the Chain Rigidity of Hyaluronan by Sel..:

Giubertoni, Giulia ; Pérez de Alba Ortíz, Alberto ; Bano, Fouzia...
Macromolecules. 54 (2021) 3 - p. 1137-1146 , 2021

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

12

Linear Scaling Relationships to Predict pKa's and Reduction..:

Puthenkalathil, Rakesh C. ; Ensing, Bernd
Inorganic Chemistry. 61 (2021) 1 - p. 113-120 , 2021

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

13

Bayesian optimization of comprehensive two-dimensional liqu..:

Boelrijk, Jim ; Pirok, Bob ; Ensing, Bernd.
Journal of Chromatography A. 1659 (2021) - p. 462628 , 2021

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

14

Peptide Side-COOH Groups Have Two Distinct Conformations un..:

Sofronov, Oleksandr O. ; Giubertoni, Giulia ; Pérez de Alba Ortíz, Alberto..
The Journal of Physical Chemistry Letters. 11 (2020) 9 - p. 3466-3472 , 2020

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

15

A DFT study of structure and electrochemical properties of ..:

Etinski, Mihajlo ; Stanković, Ivana M. ; Puthenkalathil, Rakesh C..
New Journal of Chemistry. 44 (2020) 3 - p. 932-941 , 2020

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