Meiler Lab Computational Chemical and Structural Biology |
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Thomas Willcock
Former Graduate Student
B.S. Chemistry, Spanish, College of the Ozarks
thomas.c.willcock [ at ] vanderbilt.edu
Partial covalent interactions drive many local interactions and are important computationally for getting good, high resolution models. My current project is to model partial covalent interactions in Rosetta with explicit orbital placement. Currently Rosetta can do this for atoms that appear only in the canonical amino acids. I am working on allowing it to do this for any atom especially for use in Protein-Ligand docking
Center for Structural Biology
465 21st Ave South, BIOSCI/MRBIII
Vanderbilt University, Nashville, TN