Onsager–Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways

Understanding Covalent Mechanochemistry

(2009) Jordi Ribas-Arino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-timescale molecular dynamics simulations of protein structure and function

(2009) John L Klepeis et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Dominant reaction pathways in high-dimensional systems

(2009) E. Autieri et al.   JOURNAL OF CHEMICAL PHYSICS

Optimal replica exchange method combined with Tsallis weight sampling

(2009) Jaegil Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Revisiting the finite temperature string method for the calculation of reaction tubes and free energies

(2009) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Rapid equilibrium sampling initiated from nonequilibrium data

(2009) X. Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

(2008) Jarek Juraszek et al.   BIOPHYSICAL JOURNAL

Rare events via multiple reaction channels sampled by path replica exchange

(2008) Peter G. Bolhuis   JOURNAL OF CHEMICAL PHYSICS

Maximum Caliber: A variational approach applied to two-state dynamics

(2008) Gerhard Stock et al.   JOURNAL OF CHEMICAL PHYSICS

Directionally negative friction: A method for enhanced sampling of rare event kinetics

(2008) James MacFadyen et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic Actions for Diffusive Dynamics:  Reweighting, Sampling, and Minimization†

(2007) Artur B. Adib   JOURNAL OF PHYSICAL CHEMISTRY B