Robert Wood

University of Delaware

Projects

MP2/CBS pair corrrelation function of liquid water.

Lead Institution

University of Delaware

Principal Investigator

Robert Wood

Project type

Capability Research

We are applying the ABC/FEP (ABinito to Classical/Free Energy Perturbation) approach in conjunction with the TTM2-F interaction potential for water in order to derive the MP2/CBS limit for the liquid…

Investigation of the metal binding octarepeat region from the human prion using nanoscale computer simulations

Lead Institution

Industrial Summit Technology

Principal Investigator

Eric Yezdimer

Project type

Large-Scale EMSL Research

Several debilitating neurodegenerative diseases, including mad cow and Creutzfeldt-Jakob diseases, are characterized by the production of a misfolded conformation of an endogenous cellular form of…