activity
19992023
most citedConvergent dynamics in the protease enzymatic superfamily

62 citations · 279 across the 15 of their papers we have counts for

collaborators
Showing 2021 · physics.comp-phShow all

1 paper · 2 filters

physics.comp-ph2021★ 43 cited

Targeted free energy perturbation revisited: Accurate free energies from mapped reference potentials

Andrea Rizzi, Paolo Carloni, Michele Parrinello

We present an approach that extends the theory of targeted free energy perturbation (TFEP) to calculate free energy differences and free energy surfaces at an accurate quantum mech…