News & Events

March 30, 2007

Troy Wymore gives invited seminar to the Department of Biological Sciences at Tennessee State University

March 7, 2007

Adam Marko accepts offer to attend UCSF's iPQB Doctoral Program

February 28, 2007

Paper accepted to Journal of Chemical Information Modeling on Comparative Protein Structure Modeling by Adam Marko, Kate Stafford, and Troy Wymore.
[ abstract ]

February 16, 2007

Cysteine-NAD adduct predicted through Wymore's QM/MM simulations of ALDH discovered in ALDH crystal structures.
[ More details soon ]

November 26-30, 2006

Adam Marko and Adam Kraut
present results from the Wymore group at CASP7 meeting [ poster ]

Welcome to the Structural Bioinformatcs Gateway at the NRBSC,
an NIH Research Resource

This site is devoted to disseminating the latest news on our research, development, and education efforts in structural bioinformatics.

Researchers led by Dr. Troy Wymore are involved in

  • developing interfaces and databases to facilitate the construction of models for simulating enzyme reactions using hybrid Quantum Mechanical/Molecular Mechanical (QM/MM) potentials.
  • developing state-of-the-art tutorials for constructing and simulating enzyme reactions using QM/MM potentials
  • developing methods to advance template-based protein structure prediction methods.

  • A separate core project funded by the Research Resource is developing methods and parameters for polarizable molecular mechanical force fields to be used in simulating biological systems and in particular ion channels. This project is led by Charles L. Brooks III at Scripps Research Institute.


Postdoctoral Opportunity in Bioinformatics
(read more)