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Acta Crystallographica. Section D, Structural Biology|November 19, 2025
CryoLike: a Python package for cryo-electron microscopy image-to-structure likelihood calculationsWai Shing Tang, Jeff Soules, Aaditya Rangan, et al.
Journal of Computer-Aided Molecular Design|July 14, 2020
Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensemblesIsaias Lans, Karen Palacio-Rodríguez, Claudio N Cavasotto, et al.
Scientific Reports|March 28, 2019
Exponential consensus ranking improves the outcome in docking and receptor ensemble dockingKaren Palacio-Rodríguez, Isaias Lans, Claudio N Cavasotto, et al.
Journal of Chemical Theory and Computation|October 7, 2024
Active Learning of Boltzmann Samplers and Potential Energies with Quantum Mechanical AccuracyAna Molina-Taborda, Pilar Cossio, Olga Lopez-Acevedo, et al.
Biomedica : Revista Del Instituto Nacional De Salud|November 5, 2015
[Detection of molecular targets on the phosphatidylinositol signaling pathway of Leishmania spp. through bioinformatics tools and mathematical modeling]Valeria Velásquez, Rodrigo Ochoa, Carlos Muskus
The Journal of Chemical Physics|October 24, 2019
Molecular free energy profiles from force spectroscopy experiments by inversion of observed committorsRoberto Covino, Michael T Woodside, Gerhard Hummer, et al.
Biorxiv : the Preprint Server for Biology|July 17, 2025
Using Time Dependent Rate Analysis to Evaluate the Quality of Machine Learned Reaction Coordinates for Biasing and Computing KineticsNicodemo Mazzaferro, Suemin Lee, Pilar Cossio, et al.
The Journal of Physical Chemistry. B|October 8, 2025
Using Time Dependent Rate Analysis to Evaluate the Quality of Machine Learned Reaction Coordinates for Biasing and Computing KineticsNicodemo Mazzaferro, Suemin Lee, Pilar Cossio, et al.
Biorxiv : the Preprint Server for Biology|January 23, 2026
Cryo-electron microscopy ensemble optimization using individual particles and physical constraintsDavid Silva-Sánchez, Erik H Thiede, Roy R Lederman, et al.
Microscopy (Oxford, England)|July 23, 2018
Bayesian inference of rotor ring stoichiometry from electron microscopy images of archaeal ATP synthasePilar Cossio, Matteo Allegretti, Florian Mayer, et al.
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