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Journal of Chemical Theory and Computation|July 28, 2022
Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition PathsKaren Palacio-Rodriguez, Fabio PietrucciJournal of Chemical Theory and Computation|August 7, 2023
Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition PathsLine Mouaffac, Karen Palacio-Rodriguez, Fabio PietrucciJournal of Molecular Graphics & Modelling|September 23, 2021
dockECR: Open consensus docking and ranking protocol for virtual screening of small moleculesRodrigo Ochoa, Karen Palacio-Rodriguez, Camila M Clemente, et al.The Journal of Physical Chemistry Letters|August 8, 2022
Transition Rates and Efficiency of Collective Variables from Time-Dependent Biased SimulationsKaren Palacio-Rodriguez, Hadrien Vroylandt, Lukas S Stelzl, et al.Scientific Reports|July 2, 2021
A Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experimentsJulian Giraldo-Barreto, Sebastian Ortiz, Erik H Thiede, et al.Nature Communications|May 2, 2026
Structural flexibility of the human vault particle revealed by high-resolution cryo-EM and molecular dynamics simulationsFabio Lapenta, Karen Palacio-Rodriguez, Sergio Cruz-León, et al.Pageof 1