Multiple state transition interface sampling of alanine dipeptide in explicit solvent

Optimizing transition interface sampling simulations

(2011) Ernesto E. Borrero et al.   JOURNAL OF CHEMICAL PHYSICS

On the efficiency of biased sampling of the multiple state path ensemble

(2010) Jutta Rogal et al.   JOURNAL OF CHEMICAL PHYSICS

Overcoming barriers in trajectory space: Mechanism and kinetics of rare events via Wang–Landau enhanced transition path sampling

(2010) Ernesto E. Borrero et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol

(2009) Camilo Velez-Vega et al.   JOURNAL OF CHEMICAL PHYSICS

Multiple state transition path sampling

(2008) Jutta Rogal et al.   JOURNAL OF CHEMICAL PHYSICS

Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes

(2008) Ernesto E. Borrero et al.   JOURNAL OF CHEMICAL PHYSICS

Rare events via multiple reaction channels sampled by path replica exchange

(2008) Peter G. Bolhuis   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation