Computational Drug Discovery

 

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 protein interactions; computational drug discovery

Jacob D. Durrant

Pitt – Biology

 Computational structural biology, computer-aided drug design.

David Koes

Pitt – Computational & Systems Biology

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

Chemogenomics-knowledgebase small molecule probe design and development for target-specific drug discovery.