Research Mentors

Institution and Department

Research Focus

Ivet Bahar

Pitt – Computational Biology

Analytical models and computational methods for predicting the dynamics of large biomolecular systems and networks of proteins.

Carlos Camacho

Pitt – Computational Biology

Modeling of physical interactions responsible for molecular recognition; Developing new techniques for predicting protein complex strucures.

Chakra Chennubhotla

Pitt – Computational Biology

Develop new image analysis methods for (i) Extracting spatio-temporal correlation hierarchy from neuronal activation profiles, (ii) Reconstructing neuronal struture from histological data, and (iii) Building automated segmentation algorithms for sub-cellular structures from microscopy data. (sample project)

Lillian Chong

Pitt – Chemistry

Protein structure and function, natively unfolded proteins, molecular sensors, MD simulations, distributed computing.

Rob Coalson

Pitt – Chemistry, Physics, and the Center for Molecular and Materials Simulations

Models kinetics and struture.function relations in biological ion channels. (sample project)

Jacob D. Durrant

Pitt - Biology

Computer-aided drug design to intelligently identify small-molecule ligands that disrupt or enhance the critical interactions between these “drug targets” and other microscopic partners. (sample project)

Timothy Lezon

Pitt – Computational & Systems Biology / Drug Discovery Institute

Computational systems biology of signaling pathways.

Jeffry Madura

Duquesne - Chemistry & Biochemistry and the Center for Computational Sciences

Development and application of methods to study the structure, function, and dynamics of proteins and enzymes in solution and at interfaces. (sample project)

Pei Tang

Pitt – Structural Biology

Action of low-affinity drugs (general anesthetics and alcohols) on neurotransmitter-gated receptor channels.

Sean Xie

Pitt – Pharmaceutical Sciences/Drug Discovery Institute

His research interests are: 1) GPCR CB2 membrane protein structure/function studies. 2) Methods and algorithms development for knowledgebase-target identifications and structure-based drug design for multiple myeloma, osteoporosis and hematopoietic stem cell expansion by using the integrated computational chemical genomics virtual screening, bioassay validation and medicinal chemistry synthesis approaches. ( and