162 citations · 894 across the 45 of their papers we have counts for
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physics.comp-ph2010★ 2 cited
Automated sampling assessment for molecular simulations using the effective sample size
Xin Zhang, Divesh Bhatt, Daniel M. Zuckerman
To quantify the progress in development of algorithms and forcefields used in molecular simulations, a method for the assessment of the sampling quality is needed. We propose a gen…
physics.comp-ph2010★ 3 cited
Symmetry of forward and reverse path populations
Divesh Bhatt, Daniel M. Zuckerman
In this note, we address formally the issue of symmetry for probabilities of different dynamical pathways in the forward and reverse directions of a conformational transition. Our…