Exact dynamical coarse-graining without time-scale separation

Characterization of Rare Events in Molecular Dynamics

(2013) Carsten Hartmann et al.   Entropy

Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency

(2013) Baron Peters et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Coarse-grained models for biomolecular systems

(2013) W. G. Noid   JOURNAL OF CHEMICAL PHYSICS

Diffusion along the Splitting/Commitment Probability Reaction Coordinate

(2013) Alexander M. Berezhkovskii et al.   JOURNAL OF PHYSICAL CHEMISTRY B

New Insights into the Folding of a β-Sheet Miniprotein in a Reduced Space of Collective Hydrogen Bond Variables: Application to a Hydrodynamic Analysis of the Folding Flow

(2013) Igor V. Kalgin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparing a simple theoretical model for protein folding with all-atom molecular dynamics simulations

(2013) E. R. Henry et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Native contacts determine protein folding mechanisms in atomistic simulations

(2013) R. B. Best et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atomistic molecular simulations of protein folding

(2012) Robert B Best   CURRENT OPINION IN STRUCTURAL BIOLOGY

On Reaction Coordinate Optimality

(2012) Sergei V. Krivov   Journal of Chemical Theory and Computation

Time scale separation leads to position-dependent diffusion along a slow coordinate

(2011) Alexander Berezhkovskii et al.   JOURNAL OF CHEMICAL PHYSICS

Effective dynamics using conditional expectations

(2010) Frédéric Legoll et al.   NONLINEARITY

Mori–Zwanzig formalism as a practical computational tool

(2009) Carmen Hijón et al.   FARADAY DISCUSSIONS

Markovian milestoning with Voronoi tessellations

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

Coordinate-dependent diffusion in protein folding

(2009) R. B. Best et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events

(2008) Weinan E et al.   Annual Review of Physical Chemistry

On the assumptions underlying milestoning

(2008) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-grained models of protein folding: toy models or predictive tools?

(2007) Cecilia Clementi   CURRENT OPINION IN STRUCTURAL BIOLOGY