Virtual Interface Exchange approximates the reweighted path ensemble from rejected pathways in a single TPS run to yield free energy and committor landscapes.
The relaxation time in the basins is in the order of several ns, however the transition time is in the order of ps, classifying dimerization a rare tran- sition
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2019 1verdicts
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Approximating Free Energy and Committor Landscapes in Standard Transition Path Sampling using Virtual Interface Exchange
Virtual Interface Exchange approximates the reweighted path ensemble from rejected pathways in a single TPS run to yield free energy and committor landscapes.