Jacobs, Donald J.

UNCC

There are 2 item/s.

TitleDateViewsBrief Description
Essential dynamics of proteins using geometrical simulations and subspace analysis 2012 2568 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 ...
Modeling, simulation and analysis of the reaction field for electrostatic interactions in aqueous solution 2013 448 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...