Administrative

BSBC Personnel

The Biomolecular Simulation and Bioinformatics Core Lab personnel consists of researchers from multiple institutions in the Piedmont Triad area.

The personnel are seperated into four distinct groups:

Project Directors

Patricia H. Reggio: Department of Chemistry and Biochemistry at UNC Greensboro
Project Title: Novel Targeted Gene Therapy Using Engineered Mu Opioid Receptors to Treat Pain

E. W. Taylor: Department of Chemistry and Biochemistry at UNC Greensboro
Project Title: Molecular Modeling and Simulation Research Projects from the Laboratory for Molecular Medicine(LMM), Office of Research

Phil Hammond: Targacept
Project Title: Computational Studies on ODCase-Inhibitor Complexes and Mechanistic Investigations

J. Philip Bowen: Department of Chemistry and Biochemistry at UNC Greensboro
Project Title: Molecular Mechanics Development

Yaohang Li: Department of Computer Science at North Carolina A&T State University
Project Title: Deciphering Structures of Hypothetical Proteins via High-Resolution ab initio Structure Prediction

Divi Venkateswarlu: Department of Chemistry at North Carolina A&T State University
Project Title: Structural Basis of Blood Coagulation Cascade: Charactgerization of Serine Protease Enzyme-Substrate Complexes and Development of Exosite-Based Inhibitors

 Support Personnel

Patricia H. Reggio: Department of Chemistry and Biochemistry at UNC Greensboro
Role:   Director, BSBC Lab; Primary Investigator

Karen Burton: Department of Chemistry and Biochemistry at UNC Greensboro
Role:   Primary Systems Administration Support

Dow Hurst: Department of Chemistry and Biochemistry at UNC Greensboro
Role:   Backup Systems Administration Support

Steering Committee

The BSBC Steering Committee has been formed to ensure proper administration of the funds for the purchase, support and maintenance of the HPC cluster. The group formulates HPC resource allocation strategy, policy and procedure. They facilitate communication both within and external to UNCG/NCA&T to include additional research and industrial groups. The committee will ensure availability and reliability of shared resources, assist faculty and students in the use of the HPC cluster and share information with other universities working in the area of computational chemistry, biology and engineering through external collaboration and online tutorials. If it becomes necessary to arbitrate competing usage requests, the Steering Committee will make decisions on how to handle resource allocation issues as they arise. Alternatively, a Resource Allocations Committee can be created that is composed of a diverse set of UNCG and NC A&T faculty and industrial scientists to help insure equitable distribution of computational resources.

Patricia H. Reggio: Department of Chemistry and Biochemistry at UNC Greensboro
Title:   PI and Director, BSBC; Head, Department of Chemistry and Biochemistry; Professor, Computational Chemistry / Physical Chemistry

J. Philip Bowen: Department of Chemistry and Biochemistry at UNC Greensboro
Title:   Professor, Computational Chemistry / Organic Medicinal Chemistry

E. Will Taylor: Department of Chemistry and Biochemistry at UNC Greensboro
Title:   Sr. Research Professor, Biomedical Sciences

Karen Burton: Department of Chemistry and Biochemistry at UNC Greensboro
Title:   Systems Administrator

Donna Heath: ITS Systems and Networks at UNC Greensboro
Title:   Associate Vice Chancellor

Gloria Thornton: Information Technology Services at UNC Greensboro
Title:   Associate Vice Chancellor for Client Services

Divi Venkateswarlu: Department of Chemistry at North Carolina A&T State University
Title:   Assistant Professor, Computational Chemistry / Physical Chemsitry

Advisory Council

To help guide this project, a three-member Advisory Council has been formed and will meet annually at UNCG. Selected Members have extensive experience in computational science education, computational research, and lab administration and operations. This Advisory Council will convene with the PI, Co-PIs and HPC Systems Administrator to offer advice and suggestions on (1) ways to improve system performance and enhance access; (2) methods and procedures for handling allocation of HPC resources for meritorial research; and, (3) HPC applications to expand the scope and quality of available research resources.

Dr. Harel Weinstein: Weill Medical College of Cornell University (WCMC)
Position:   Chairman, Department of Physiology and Biophysics, Director, Institute for
Computational Biomedicine

Dr. Mike Pitman: IBM Thomas J. Watson Research Center
Position:   Project Leader, Blue Gene Membrane Protein Science, Biomolecular Dynamics
and Scalable Modeling, Computational Biology Center

Dr. Alan Blatecky: North Carolina Renaissance Computing Institute
Position:   Chief Scientist for Research and Development