most citedGood rates from bad coordinates: the exponential average time-dependent rate approach

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physics.chem-ph2026

Stepping up enhanced rate calculations with EATR-flooding

Nicodemo Mazzaferro, Willmor J Pena Ccoa, Pilar Cossio +1

Several recent methods have shown that it is possible to compute rate constants of very slow biomolecular processes using simulations where a time-dependent bias is added along one…

physics.chem-ph2024★ 1 cited

Good rates from bad coordinates: the exponential average time-dependent rate approach

Nicodemo Mazzaferro, Subarna Sasmal, Pilar Cossio +1

Our ability to calculate rates of biochemical processes using molecular dynamics simulations is severely limited by the fact that the time scales for reactions, or changes in confo…