Anneal-MaxCal: kinetic ensembles from a Markov model learned along a solute-tempering ladder
Z. Faidon Brotzakis, Νικόλαος Ρεκατσίνας
Anneal-MaxCal improves kinetic modeling by combining enhanced sampling and maximum-caliber reweighting to estimate accurate transition rates and populations in molecular systems.
bioRxiv · Oct 9, 2026 · PreprintBiophysics