Data-driven enhanced sampling of mechanistic pathways
https://www.profitableratecpm.com/f4ffsdxe?key=39b1ebce72f3758345b2155c98e6709c
Proceedings of the National Academy of Sciences, Volume 122, Number 49, December 2025.
ImportanceUnderstanding the atomistic mechanisms of molecular processes is crucial for the rational design of therapeutic materials and drugs. We can better understand these mechanisms by tracing the minimal free energy path through molecules…
