49 citations · 157 across the 11 of their papers we have counts for
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physics.comp-ph2017★ 25 cited
Estimation of the infinitesimal generator by square-root approximation
Luca Donati, Martin Heida, Bettina G. Keller +1
For the analysis of molecular processes, the estimation of time-scales, i.e., transition rates, is very important. Estimating the transition rates between molecular conformations i…
cond-mat.stat-mech2017★ 49 cited
Girsanov reweighting for path ensembles and Markov state models
Luca Donati, Carsten Hartmann, Bettina G. Keller
The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules.We present…