Obtaining fully dynamic coarse-grained models from MD

General discussion

(2009)   FARADAY DISCUSSIONS

Mori–Zwanzig formalism as a practical computational tool

(2009) Carmen Hijón et al.   FARADAY DISCUSSIONS

Systematic coarse-graining of molecular models by the Newton inversion method

(2009) Alexander Lyubartsev et al.   FARADAY DISCUSSIONS

Multidimensional Langevin modeling of biomolecular dynamics

(2009) Rainer Hegger et al.   JOURNAL OF CHEMICAL PHYSICS

Parameter estimation for partially observed hypoelliptic diffusions

(2009) Yvo Pokern et al.   JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

(2009) Vagelis A. Harmandaris et al.   MACROMOLECULES

Remarks on Drift Estimation for Diffusion Processes

(2009) Yvo Pokern et al.   MULTISCALE MODELING & SIMULATION

Kernel-based regression of drift and diffusion coefficients of stochastic processes

(2009) David Lamouroux et al.   PHYSICS LETTERS A

Maximum likelihood drift estimation for multiscale diffusions

(2009) A. Papavasiliou et al.   STOCHASTIC PROCESSES AND THEIR APPLICATIONS

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

A Bayesian statistics approach to multiscale coarse graining

(2008) Pu Liu et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

The relative entropy is fundamental to multiscale and inverse thermodynamic problems

(2008) M. Scott Shell   JOURNAL OF CHEMICAL PHYSICS

Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations

(2008) Cristian Micheletti et al.   JOURNAL OF CHEMICAL PHYSICS

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

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