Accurate Estimation of Protein Folding and Unfolding Times: Beyond Markov State Models

Por Suárez, Ernesto, Adelman, Joshua L., Zuckerman, Daniel M.
Publicado no J Chem Theory Comput (2016)

Estimating first‐passage time distributions from weighted ensemble simulations and non‐Markovian analyses

Por Suárez, Ernesto, Pratt, Adam J., Chong, Lillian T., Zuckerman, Daniel M.
Publicado no Protein Sci (2015)

Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories

Por Suárez, Ernesto, Lettieri, Steven, Zwier, Matthew C., Stringer, Carsen A., Subramanian, Sundar Raman, Chong, Lillian T., Zuckerman, Daniel M.
Publicado em 2014

WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis

Por Zwier, Matthew C., Adelman, Joshua L., Kaus, Joseph W., Pratt, Adam J., Wong, Kim F., Rego, Nicholas B., Suárez, Ernesto, Lettieri, Steven, Wang, David W., Grabe, Michael, Zuckerman, Daniel M., Chong, Lillian T.
Publicado no J Chem Theory Comput (2015)