40 citations · 113 across the 11 of their papers we have counts for
3 papers · 1 filter
Ensemble reweighting using Cryo-EM particles
Wai Shing Tang, David Silva-Sánchez, Julian Giraldo-Barreto +5
Cryo-electron microscopy (cryo-EM) has recently become a premier method for obtaining high-resolution structures of biological macromolecules. However, it is limited to biomolecula…
Simulation-based inference of single-molecule force spectroscopy
Lars Dingeldein, Pilar Cossio, Roberto Covino
Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental d…
Ab initio metadynamics determination of temperature-dependent free-energy landscape in ultrasmall silver clusters
Daniel Sucerquia, Cristian Parra, Pilar Cossio +1
Ab initio metadynamics enables extracting free-energy landscapes having the accuracy of first principles electronic structure methods. We introduce an interface between the PLUMED…