260 citations · 2.2k across the 37 of their papers we have counts for
3 papers · 1 filter
iMapD: intrinsic Map Dynamics exploration for uncharted effective free energy landscapes
Eliodoro Chiavazzo, Ronald R. Coifman, Roberto Covino +4
We describe and implement iMapD, a computer-assisted approach for accelerating the exploration of uncharted effective Free Energy Surfaces (FES), and more generally for the extract…
BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images
Pilar Cossio, David Rohr, Fabio Baruffa +3
In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-mole…
Identification and Analysis of Transition and Metastable Markov States
Linda Martini, Adam Kells, Gerhard Hummer +2
We present a new method that enables the identification and analysis of both transition and metastable conformational states from atomistic or coarse-grained molecular dynamics (MD…