E-LIB Suche - Ergebnisse für: Chipot, Christophe

1

Applications of Free-Energy Calculations to Biomolecular Pr..:

Cournia, Zoe ; Chipot, Christophe
The Journal of Physical Chemistry B. 128 (2024) 14 - p. 3299-3301 , 2024

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

2

Author Correction: Structural determinants for activity of ..:

López-Sánchez, Uriel ; Munro, Lachlan Jake ; Ladefoged, Lucy Kate...
Nature Structural & Molecular Biology. , 2024

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

3

Applications of Free-Energy Calculations to Biomolecular Pr..:

Cournia, Zoe ; Chipot, Christophe
Journal of Chemical Information and Modeling. 64 (2024) 7 - p. 2129-2131 , 2024

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

4

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/..

5

Impact of the Unstirred Water Layer on the Permeation of Sm..:

Kang, Christopher ; Shoji, Alyson ; Chipot, Christophe.
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 933-943 , 2024

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

6

Structural determinants for activity of the antidepressant ..:

López-Sánchez, Uriel ; Munro, Lachlan Jake ; Ladefoged, Lucy Kate...
Nature Structural & Molecular Biology. , 2024

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

7

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/..

8

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/..

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

Molecular basis of protein-protein interactions in a homolo..:

Goulard Coderc de Lacam, Emma ; Chipot, Christophe J.
Biophysical Journal. 122 (2023) 3 - p. 143a-144a , 2023

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

11

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/..

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

Standard Binding Free-Energy Calculations: How Far Are We f..:

Fu, Haohao ; Chipot, Christophe ; Shao, Xueguang.
The Journal of Physical Chemistry B. 127 (2023) 49 - p. 10459-10468 , 2023

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

14

Achieving Accurate Standard Protein–Protein Binding Free En..:

Fu, Haohao ; Chipot, Christophe ; Shao, Xueguang.
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2512-2519 , 2023

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

15

Improving Speed and Affordability without Compromising Accu..:

Blazhynska, Marharyta ; Goulard Coderc de Lacam, Emma ; Chen, Haochuan.
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3091-3101 , 2023

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