Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality
Gydo C. P. van Zundert, Nigel W. Moriarty, Oleg V. Sobolev, Paul D. Adams, Kenneth Borrelli
Topics & Concepts
OverfittingResolution (logic)Force field (fiction)MicroscopyLigand (biochemistry)CrystallographyBiological systemMaterials scienceChemistryComputer sciencePhysicsBiologyArtificial intelligenceOpticsArtificial neural networkReceptorBiochemistryAdvanced Electron Microscopy Techniques and ApplicationsMachine Learning in Materials ScienceRNA and protein synthesis mechanisms