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Research Abstracts Online
January 2009 - March 2010

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University of Minnesota Rochester
Graduate Program in Biomedical Informatics and Computational Biology

PI: Carlos P. Sosa

Identification of Small-molecule Viral Replication Inhibitors

This work consists of multiple projects that are part of the Biomedical Informatics and Computational Biology program. It encompasses the study of viral replication inhibitors: the application of current in silico docking methodologies to the discovery of HIV and Ebola virus replication inhibitors, evaluation and validation of in silico results through laboratory-based in vitro high-throughput screening, and improving in silico docking by theoretical research. This project is in collaboration with Kendall Byler (Mayo Clinic), David Katzmann (Mayo Clinic), Yiannis Kaznessis (University of Minnesota), Jean-Pierre Kocher (Mayo Clinic), Andrew Norgan (Mayo Clinic and BICB), Eric Poeschla (Mayo Clinic), and Emilia Wu (University of Minnesota). It also includes the parallelization of an electronic structure-based polarization method, called X-POL, developed by W. Xie and Jiali Gao. This work is in collaboration with H. Sun (IBM), W. Xie (University of Minnesota), Jiali Gao (University of Minnesota), and Donald Truhlar (University of Minnesota). These researchers are also developing front-end environments for hybrid systems. This project is in collaboration with R. Ferdous (IBM).

Group Members

Kendall Byler, Research Associate
Rashed Ferdous, Graduate Student
Andrew Norgan, Graduate Student
Haitao Sun, Graduate Student