Adaptive single replica multiple state transition interface sampling

Multiple state transition interface sampling of alanine dipeptide in explicit solvent

(2011) Wei-Na Du et al.   JOURNAL OF CHEMICAL PHYSICS

Optimizing transition interface sampling simulations

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

Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble

(2011) Wolfgang Lechner et al.   JOURNAL OF CHEMICAL PHYSICS

A multiple replica approach to simulate reactive trajectories

(2011) Frédéric Cérou et al.   JOURNAL OF CHEMICAL PHYSICS

Markov models of molecular kinetics: Generation and validation

(2011) Jan-Hendrik Prinz et al.   JOURNAL OF CHEMICAL PHYSICS

The reweighted 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

Sampling rare events in nonequilibrium and nonstationary systems

(2010) Joshua T. Berryman et al.   JOURNAL OF CHEMICAL PHYSICS

A Gentle Stochastic Thermostat for Molecular Dynamics

(2009) Ben Leimkuhler et al.   JOURNAL OF STATISTICAL PHYSICS

Multiple state transition path sampling

(2008) Jutta Rogal 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

An integrate-over-temperature approach for enhanced sampling

(2008) Yi Qin Gao   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

Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems

(2008) L. Zheng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA