E-LIB Suche - Ergebnisse für: Stock, Gerhard

1

Nonadiabatic dynamics of molecules interacting with metal s..:

Rudge, Samuel L. ; Kaspar, Christoph ; Grether, Robin L....
The Journal of Chemical Physics. 160 (2024) 18 - p. , 2024

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

2

Log-periodic oscillations as real-time signatures of hierar..:

Dorbath, Emanuel ; Gulzar, Adnan ; Stock, Gerhard
The Journal of Chemical Physics. 160 (2024) 7 - p. , 2024

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

3

Toward a Benchmark for Markov State Models: The Folding of ..:

Nagel, Daniel ; Sartore, Sofia ; Stock, Gerhard
The Journal of Physical Chemistry Letters. 14 (2023) 31 - p. 6956-6967 , 2023

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

4

Investigation of Rare Protein Conformational Transitions vi..:

Post, Matthias ; Wolf, Steffen ; Stock, Gerhard
Journal of Chemical Theory and Computation. , 2023

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

5

Selecting Features for Markov Modeling: A Case Study on HP3:

Nagel, Daniel ; Sartore, Sofia ; Stock, Gerhard
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3391-3405 , 2023

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

6

msmhelper: A Python package for Markov state modelingof pro..:

Nagel, Daniel ; Stock, Gerhard
Journal of Open Source Software. 8 (2023) 85 - p. 5339 , 2023

Link: https://doi.org/10.21105..

7

Path separation of dissipation-corrected targeted molecular..:

Wolf, Steffen ; Post, Matthias ; Stock, Gerhard
The Journal of Chemical Physics. 158 (2023) 12 - p. , 2023

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

8

Molecular Origin of Driving-Dependent Friction in Fluids:

Post, Matthias ; Wolf, Steffen ; Stock, Gerhard
Journal of Chemical Theory and Computation. 18 (2022) 5 - p. 2816-2825 , 2022

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

9

Cooperative Protein Allosteric Transition Mediated by a Flu..:

Post, Matthias ; Lickert, Benjamin ; Diez, Georg..
Journal of Molecular Biology. 434 (2022) 17 - p. 167679 , 2022

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

10

Nonequilibrium Modeling of the Elementary Step in PDZ3 Allo..:

Ali, Ahmed A. A. I. ; Gulzar, Adnan ; Wolf, Steffen.
The Journal of Physical Chemistry Letters. 13 (2022) 42 - p. 9862-9868 , 2022

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

11

Correlation-Based Feature Selection to Identify Functional ..:

Diez, Georg ; Nagel, Daniel ; Stock, Gerhard
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 5079-5088 , 2022

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

12

Energy Transport and Its Function in Heptahelical Transmemb..:

Helmer, Nadja ; Wolf, Steffen ; Stock, Gerhard
The Journal of Physical Chemistry B. 126 (2022) 43 - p. 8735-8746 , 2022

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

13

Data-Driven Langevin Modeling of Nonequilibrium Processes:

Lickert, Benjamin ; Wolf, Steffen ; Stock, Gerhard
The Journal of Physical Chemistry B. 125 (2021) 29 - p. 8125-8136 , 2021

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

14

Hierarchical dynamics in allostery following ATP hydrolysis..:

Wolf, Steffen ; Sohmen, Benedikt ; Hellenkamp, Björn...
Chemical Science. 12 (2021) 9 - p. 3350-3359 , 2021

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

15

Correction to Vibrational Spectroscopic Map, Vibrational Sp..:

Baiz, Carlos R. ; Błasiak, Bartosz ; Bredenbeck, Jens...
Chemical Reviews. 121 (2021) 21 - p. 13698-13698 , 2021

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