30 citations · 136 across the 10 of their papers we have counts for
4 papers · 1 filter
A Random Force is a Force, of Course, of Coarse: Decomposing Complex Enzyme Kinetics with Surrogate Models
Christopher P. Calderon
The temporal autocorrelation (AC) function associated with monitoring order parameters characterizing conformational fluctuations of an enzyme is analyzed using a collection of sur…
Approximating nonequilibrium processes using a collection of surrogate diffusion models
Christopher P. Calderon, Riccardo Chelli
The surrogate process approximation (SPA) is applied to model the nonequilibrium dynamics of a reaction coordinate (RC) associated with the unfolding and refolding processes of a d…
On the Use of Local Diffusion Models for Path Ensemble Averaging in Potential of Mean Force Computations
Christopher P. Calderon
We use a constant velocity steered molecular dynamics (SMD) simulation of the stretching of deca-alanine in vacuum to demonstrate a technique that can be used to create surrogate s…
Fitting Effective Diffusion Models to Data Associated with a "Glassy Potential": Estimation, Classical Inference Procedures and Some Heuristics
Christopher P. Calderon
A variety of researchers have successfully obtained the parameters of low dimensional diffusion models using the data that comes out of atomistic simulations. This naturally raises…