Jacobs, Donald J.

UNCC

There are 2 item/s.

TitleDateViewsBrief Description
Modeling, simulation and analysis of the reaction field for electrostatic interactions in aqueous solution 2013 452 How to deal with the long-range electrostatic interactions theoretically and computationally has been well studied due to their importance in biological processes and time consuming summations in computer simulations. The main focus of our research h...
Essential dynamics of proteins using geometrical simulations and subspace analysis 2012 2576 Essential dynamics is the application of principal component analysis to a dynamic trajectory derived from a simulation protocol in order to extract biologically relevant information contained in the high dimensional data. In this work, we apply the ...