Research Experience for Undergraduates Programs

Computational Structural Biology

Brief description: We are pursuing research in the determination and application of protein structures. Topics of interest include protein structure prediction, molecular dynamics, and drug design.
Examples of current and prior projects: Data-Driven Molecular Dynamics Modeling: This project seeks to advance the state of the art in molecular dynamics modeling by including experimental data. Molecular dynamics simulations, in turn, can elucidate aspects of protein folding, function, and interactions, such as those relevant to drug design. Combining machine learning, Nuclear Magnetic Resonance (NMR) data analysis, and molecular modeling, we have recently developed a technique capable of detecting and characterizing conformational dynamics relevant to biological function from NMR data. This research was conducted by Ruben Valas, an undergraduate student in the department of Computer Science, during the Summer of 2004.

REU logistics: The research is inherently multi-disciplinary; students should expect to spend time becoming familiar with a number of topics relevant to protein structure. Team-based projects are particularly encouraged.

Schedule: Year-round

Number of undergraduate positions: There are no specific limits

Supported by: The Pittsburgh Life Sciences Greenhouse

More information: Students are asked to contact Dr. Langmead.

Contacts: Chris Langmead

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