Nonlinear intrinsic variables and state reconstruction in multiscale simulations

Coarse-Graining Methods for Computational Biology

(2013) Marissa G. Saunders et al.   Annual Review of Biophysics

Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of Proteins

(2013) Enrico Spiga et al.   Journal of Chemical Theory and Computation

Stability and stabilization of the constrained runs schemes for equation-free projection to a slow manifold

(2012) Antonios Zagaris et al.   DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS

Integrating diffusion maps with umbrella sampling: Application to alanine dipeptide

(2011) Andrew L. Ferguson et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of reaction coordinates via locally scaled diffusion map

(2011) Mary A. Rohrdanz et al.   JOURNAL OF CHEMICAL PHYSICS

Exploration of effective potential landscapes using coarse reverse integration

(2009) Thomas A. Frewen et al.   JOURNAL OF CHEMICAL PHYSICS

Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

(2009) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-dimensional density estimation via SCA: An example in the modelling of hurricane tracks

(2009) Susan M. Buchman et al.   Statistical Methodology

Closed-form likelihood expansions for multivariate diffusions

(2008) Yacine Aït-Sahalia   ANNALS OF STATISTICS

Graph Laplacian Tomography From Unknown Random Projections

(2008) R.R. Coifman et al.   IEEE TRANSACTIONS ON IMAGE PROCESSING

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

Non-linear independent component analysis with diffusion maps

(2007) Amit Singer et al.   APPLIED AND COMPUTATIONAL HARMONIC ANALYSIS