4 citations · 4 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2018★ 4 cited
Pathway Histogram Analysis of Trajectories: A general strategy for quantification of molecular mechanisms
Ernesto Suárez, Daniel M. Zuckerman
A key overall goal of biomolecular simulations is the characterization of "mechanism" -- the pathways through configuration space of processes such as conformational transitions an…
physics.chem-ph2014
Learning from history: Non-Markovian analyses of complex trajectories for extracting long-time behavior
Ernesto Suarez, Daniel Zuckerman
A number of modern sampling methods probe long time behavior in complex biomolecules using a set of relatively short trajectory segments. Markov state models (MSMs) can be useful i…
physics.bio-ph2012
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
Ernesto Suarez, Steven Lettieri, Matthew C. Zwier +4
Equilibrium formally can be represented as an ensemble of uncoupled systems undergoing unbiased dynamics in which detailed balance is maintained. Many non-equilibrium processes can…