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Karen Palacio-Rodriguez
Karen Palacio-Rodriguez
Verified email at biophys.mpg.de
Title
Cited by
Cited by
Year
Exponential consensus ranking improves the outcome in docking and receptor ensemble docking
K Palacio-Rodríguez, I Lans, CN Cavasotto, P Cossio
Scientific reports 9 (1), 5142, 2019
1272019
A Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experiments
J Giraldo-Barreto, S Ortiz, EH Thiede, K Palacio-Rodriguez, B Carpenter, ...
Scientific reports 11 (1), 13657, 2021
342021
Transition rates and efficiency of collective variables from time-dependent biased simulations
K Palacio-Rodriguez, H Vroylandt, LS Stelzl, F Pietrucci, G Hummer, ...
The journal of physical chemistry letters 13 (32), 7490-7496, 2022
152022
E5M7+ (E=C–Pb, M=Li–Cs): A Source of Viable Star‐Shaped Clusters
A Vásquez‐Espinal, K Palacio‐Rodríguez, E Ravell, M Orozco‐Ic, ...
Chemistry–An Asian Journal 13 (13), 1751-1755, 2018
152018
In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target
I Lans, E Anoz-Carbonell, K Palacio-Rodríguez, JA Aínsa, M Medina, ...
PLoS computational biology 16 (8), e1007898, 2020
132020
dockECR: Open consensus docking and ranking protocol for virtual screening of small molecules
R Ochoa, K Palacio-Rodriguez, CM Clemente, NS Adler
Journal of Molecular Graphics and Modelling 109, 108023, 2021
102021
Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles
I Lans, K Palacio-Rodríguez, CN Cavasotto, P Cossio
Journal of Computer-Aided Molecular Design 34 (10), 1063-1077, 2020
102020
Free energy landscapes, diffusion coefficients, and kinetic rates from transition paths
K Palacio-Rodriguez, F Pietrucci
Journal of chemical theory and computation 18 (8), 4639-4648, 2022
82022
Thermodynamic evaluation of carbon dioxide gasification reactions at oxy-combustion conditions
K Palacio, A Sanchez, JF Espinal
Combustion Science and Technology 190 (9), 1515-1527, 2018
82018
Optimal reaction coordinates and kinetic rates from the projected dynamics of transition paths
L Mouaffac, K Palacio-Rodriguez, F Pietrucci
Journal of Chemical Theory and Computation 19 (17), 5701-5711, 2023
72023
Transition rates, survival probabilities, and quality of bias from time-dependent biased simulations
K Palacio-Rodriguez, H Vroylandt, LS Stelzl, F Pietrucci, G Hummer, ...
arXiv preprint arXiv:2109.11360, 2021
12021
Modeling the moving parts of the cellular machinery
G Hummer, FEC Blanc, M Heidari, H Kim, K Palacio-Rodriguez
Biophysical Journal 123 (3), 335a, 2024
2024
Development of predictive approaches for biomolecular association kinetics
KP Rodriguez
Sorbonne Université, 2022
2022
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