2 papers
physics.bio-ph2021
Transition rates, survival probabilities, and quality of bias from time-dependent biased simulations
Karen Palacio-Rodriguez, Hadrien Vroylandt, Lukas S. Stelzl +3
Simulations with an adaptive time-dependent bias, such as metadynamics, enable an efficient exploration of the conformational space of a system. However, the dynamic information of…
q-bio.BM2021
A Bayesian approach for extracting free energy profiles from cryo-electron microscopy experiments using a path collective variable
Julian Giraldo-Barreto, Sebastian Ortiz, Erik H. Thiede +4
Cryo-electron microscopy (cryo-EM) extracts single-particle density projections of individual biomolecules. Although cryo-EM is widely used for 3D reconstruction, due to its single…