8 citations · 9 across the 2 of their papers we have counts for
3 papers
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…
Extending fragment-based free energy calculations with library Monte Carlo simulation: Annealing in interaction space
Steven Lettieri, Artem B. Mamonov, Daniel M. Zuckerman
Pre-calculated libraries of molecular fragment configurations have previously been used as a basis for both equilibrium sampling (via "library-based Monte Carlo") and for obtaining…
Ion specific effects on phase transitions in protein solutions
Steven Lettieri, Xiaofei Li, J. D. Gunton
A recent Monte Carlo simulation determined the potential of mean force between two lysozyme molecules in various aqueous solutions [M. Lund et al. Phys. Rev. Lett. 100, 258105 (200…