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OSPool Project

TG-BIO250176

Principal Investigator

Hagop Atamian

Organization

Chapman University

Field of Science

Biochemistry

Description

This project aims to identify naturally derived molecules with the potential to inhibit VP37, a key orthopoxvirus protein targeted by the antiviral drug Tecovirimat. Using GROMACS for molecular dynamics simulations and AutoDock Vina for molecular docking, we will screen candidates from the COCONUT natural product database. ACCESS resources will be used to support MD simulations, and molecular docking.

1,760,317

Jobs Ran

11,889,109

CPU Core Hours

73

Contributing Institutions

Contributing Institutions

Jobs by Institution
  • Purdue University West Lafayette — 352,323 (20.0%)
  • Syracuse University — 259,631 (14.7%)
  • University of Utah — 173,856 (9.9%)
  • University of South Dakota — 97,222 (5.5%)
  • Clemson University — 69,615 (4.0%)
  • University of Michigan — 68,094 (3.9%)
  • University of Chicago — 57,697 (3.3%)
  • University of California, Merced — 55,632 (3.2%)
  • University of Missouri — 54,992 (3.1%)
  • Indiana University — 51,339 (2.9%)
  • Kansas State University — 47,788 (2.7%)
  • Michigan State University — 45,038 (2.6%)
  • College of New Jersey — 40,009 (2.3%)
  • University of Connecticut — 35,541 (2.0%)
  • American Museum of Natural History — 29,404 (1.7%)
  • Other — 322,136 (18.3%)
Map of Contributing Institutions