Improved ligand geometries in crystallographic refinement using AFITT in PHENIX
A method for the more accurate refinement of small molecules and ligands in biomolecular structures is provided. Improved ligand geometry is obtained via an all-atom molecular-mechanics force field.
| Main Authors: | , , , , , , |
|---|---|
| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2016
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013598/ |