E-LIB Suche - Ergebnisse für: Roux, Benoît

1

Configurational Sampling of All-Atom Solvated Membranes Usi..:

Szczepaniak, Florence ; Dehez, François ; Roux, Benoît
The Journal of Physical Chemistry Letters. 15 (2024) 14 - p. 3796-3804 , 2024

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

2

Computational Investigation of the Covalent Inhibition Mech..:

Barragan, Angela M. ; Ghaby, Kyle ; Pond, Matthew P..
Journal of Chemical Information and Modeling. 64 (2024) 8 - p. 3488-3502 , 2024

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

3

How is Membrane Permeation of Small Ionizable Molecules Aff..:

Harris, Jonathan ; Chipot, Christophe ; Roux, Benoît
The Journal of Physical Chemistry B. 128 (2024) 3 - p. 795-811 , 2024

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

4

Dynamics of activation in the voltage-sensing domain of Cio..:

Guo, Spencer C. ; Shen, Rong ; Roux, Benoît.
Nature Communications. 15 (2024) 1 - p. , 2024

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

5

Alchemical free-energy simulations support the formation of..:

Rathod, Nishadh ; Chipot, Christophe J. ; Roux, Benoit.
Biophysical Journal. 123 (2024) 3 - p. 116a-117a , 2024

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

6

Classifying Protein–Protein Binding Affinity with Free-Ener..:

Goulard Coderc de Lacam, Emma ; Roux, Benoît ; Chipot, Christophe
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 1081-1091 , 2024

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

7

Drude Polarizable Lipid Force Field with Explicit Treatment..:

Yu, Yalun ; Venable, Richard M. ; Thirman, Jonathan...
Journal of Chemical Theory and Computation. 19 (2023) 9 - p. 2590-2605 , 2023

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

8

Early-Career and Emerging Researchers in Physical Chemistry..:

Alexandrova, Anastassia N. ; Biteen, Julie S. ; Coriani, Sonia...
The Journal of Physical Chemistry A. 127 (2023) 43 - p. 8967-8970 , 2023

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

9

Discovering Reaction Pathways, Slow Variables, and Committo..:

Chen, Haochuan ; Roux, Benoît ; Chipot, Christophe
Journal of Chemical Theory and Computation. , 2023

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

10

A Rigorous Framework for Calculating Protein–Protein Bindin..:

Blazhynska, Marharyta ; Gumbart, James C. ; Chen, Haochuan...
Journal of Chemical Theory and Computation. , 2023

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

11

Towards all-atoms sampling of membrane configurations using..:

Szczepaniak, Flo ; Dehez, François ; Roux, Benoit
Biophysical Journal. 122 (2023) 3 - p. 422a , 2023

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

12

Complementary in vitro functional studies and in silico alc..:

Rathod, Nishadh ; Primeau, Joseph O. ; Chipot, Christophe J...
Biophysical Journal. 122 (2023) 3 - p. 34a , 2023

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

13

Early-Career and Emerging Researchers in Physical Chemistry..:

Alexandrova, Anastassia N. ; Biteen, Julie S. ; Coriani, Sonia...
The Journal of Physical Chemistry C. 127 (2023) 43 - p. 20975-20978 , 2023

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

14

Simulating the Fluorescence of Di-8-ANEPPS in Solvents of D..:

Youngworth, Rachael ; Roux, Benoît
The Journal of Physical Chemistry B. 128 (2023) 1 - p. 184-192 , 2023

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

15

Simulating the Voltage-Dependent Fluorescence of Di-8-ANEPP..:

Youngworth, Rachael ; Roux, Benoît
The Journal of Physical Chemistry Letters. 14 (2023) 36 - p. 8268-8276 , 2023

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