Welcome
Areas of Research
Office of the Vice President
Office of Intellectual Property & Commercialization
Office of University Research
Compliance & Review Boards
Research Foundation
Facilities
Forms & Downloads
Funding Opportunities
Policies & Procedures
Proposal Preparation
Resource Links
Routing Proposals
Training & Workshops
Travel FAQs
News Articles
Spotlight Articles
Breeze Newsletter
Events Calendar
Browse Projects
Browse People

Computational Study of Surface Interaction Between Peptides and Graphitic Surfaces

Description :  The goal of this project is to examine surface interactions between peptides and graphene using a multiscale/multiphysics analysis. Emphasis will be placed on studying the effects of peptides on charge transport in graphene. Observations recorded on electrical transport in peptide/graphene systems will be studied with DFT/Green functions, and used in the advancement of biosensing. Changes in graphene conductivity are caused by peptide-induced disturbances, which are unique to the disturbing molecular groups, and can determine if analyte attachment is successful. In preparation for this project, the investigators have initiated the development of (1) minimum-size systems used in molecular dynamics simulations, (2) software capable of producing Density Functional Theory (DFT) calculations in system sizes appropriate for MD calculations, and (3) an implemented protocol for efficient collaborations between DFT and MD calculations. Future work on this subject will include testing of semiempirical and DFTb data, and the selection of molecules capable of binding to peptides, which are necessary for determining system sensitivity and the continued development of biosensing systems.
Principal Investigator:  Napper, Stan  --  Office of the Vice President for Research and Development
Collaborators:  Derosa, P.
Funding Agencies:  AFRL through Clarkson
Amount Awarded:  303,900

Start Period:  09/03/2013 End Period:  12/31/2014
Related People

June 25th, 2017

Browse Projects

Browse People

Recent Articles

2017 Annual Student Research Symposium...

More News...

Page Tools

Print Page      Email Page

Louisiana Tech University, A Member of the University of Louisiana System
2017 Louisiana Tech University P.O. Box 3178 Ruston, LA 71272