BiophysicsbioRxiv
Tackling hysteresis in conformational sampling - how to be forgetful with MEMENTO
S. M. Lichtinger, P. C. Biggin
This paper introduces MEMENTO, a method to generate conformational transition paths in proteins that reduces hysteresis in molecular dynamics simulations, outperforming traditional targeted MD approaches.
DOI 10.1021/acs.jctc.3c00140