E-LIB Suche - Ergebnisse für: Palacio-Rodríguez, Karen

1

Modeling the moving parts of the cellular machinery:

Hummer, Gerhard ; Blanc, Florian E.C. ; Heidari, Maziar..
Biophysical Journal. 123 (2024) 3 - p. 335a , 2024

2

Optimal Reaction Coordinates and Kinetic Rates from the Pro..:

Mouaffac, Line ; Palacio-Rodriguez, Karen ; Pietrucci, Fabio
Journal of Chemical Theory and Computation. 19 (2023) 17 - p. 5701-5711 , 2023

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

3

Transition Rates and Efficiency of Collective Variables fro..:

Palacio-Rodriguez, Karen ; Vroylandt, Hadrien ; Stelzl, Lukas S....
The Journal of Physical Chemistry Letters. 13 (2022) 32 - p. 7490-7496 , 2022

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

4

Free Energy Landscapes, Diffusion Coefficients, and Kinetic..:

Palacio-Rodriguez, Karen ; Pietrucci, Fabio
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4639-4648 , 2022

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

5

A Bayesian approach to extracting free-energy profiles from..:

Giraldo-Barreto, Julian ; Ortiz, Sebastian ; Thiede, Erik H....
Scientific Reports. 11 (2021) 1 - p. , 2021

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

6

dockECR: Open consensus docking and ranking protocol for vi..:

Ochoa, Rodrigo ; Palacio-Rodriguez, Karen ; Clemente, Camila M..
Journal of Molecular Graphics and Modelling. 109 (2021) - p. 108023 , 2021

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

7

In silico discovery and biological validation of ligands of..:

Lans, Isaias ; Anoz-Carbonell, Ernesto ; Palacio-Rodríguez, Karen...
PLOS Computational Biology. 16 (2020) 8 - p. e1007898 , 2020

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

8

Flexi-pharma: a molecule-ranking strategy for virtual scree..:

Lans, Isaias ; Palacio-Rodríguez, Karen ; Cavasotto, Claudio N..
Journal of Computer-Aided Molecular Design. 34 (2020) 10 - p. 1063-1077 , 2020

Link: https://doi.org/10.1007/..

9

Exponential consensus ranking improves the outcome in docki..:

Palacio-Rodríguez, Karen ; Lans, Isaias ; Cavasotto, Claudio N..
Scientific Reports. 9 (2019) 1 - p. , 2019

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

10

Optimal reaction coordinates and kinetic rates from the pro..:

Mouaffac, Line ; Palacio-Rodriguez, Karen ; Pietrucci, Fabio
http://arxiv.org/abs/2302.12497. , 2023

Link: http://arxiv.org/abs/230..

11

A Bayesian approach to extracting free-energy profiles from..:

Giraldo-Barreto, Julian ; Ortiz, Sebastian ; Thiede, Erik, H...
info:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-021-92621-1. , 2021

Link: https://hal.sorbonne-uni..

12

A Bayesian approach to extracting free-energy profiles from..:

Giraldo-Barreto, Julian ; Ortiz, Sebastian ; Thiede, Erik H...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8249403/. , 2021

Link: http://www.ncbi.nlm.nih...

13

Free Energy Landscapes, Diffusion Coefficients, and Kinetic..:

Palacio-Rodriguez, Karen ; Pietrucci, Fabio
http://arxiv.org/abs/2106.05415. , 2021

Link: http://arxiv.org/abs/210..

14

Transition rates, survival probabilities, and quality of bi..:

Palacio-Rodriguez, Karen ; Vroylandt, Hadrien ; Stelzl, Lukas S...
http://arxiv.org/abs/2109.11360. , 2021

Link: http://arxiv.org/abs/210..

15

A Bayesian approach to extracting free-energy profiles from..:

Giraldo-Barreto, Julian ; Ortiz, Sebastian ; Thiede, Erik, H...
info:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-021-92621-1. , 2021

Link: https://hal.sorbonne-uni..