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.

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)

David Koes

Pitt – Computational & Systems Biology

Developing novel computational algorithms and building full-scale systems to support rapid and inexpensive drug discovery. (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 Sceinces

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

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