Ligand Docking Benchmark in Rosetta using Explicitly Placed Atomic Orbitals
Protein-ligand interactions are important in a variety of biological areas. The strength and location of these interactions is driven by Partial Covalent Interactions between the protein and ligand. The Rosetta framework has been updated to explicitly capture and score these interactions. A ligand d...
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| Format: | Others |
| Language: | en |
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VANDERBILT
2015
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| Online Access: | http://etd.library.vanderbilt.edu/available/etd-07142015-171511/ |