All Stories

  1. Protonation of histidine rings using quantum-mechanical methods

    Article • Acta Crystallographica Section D Structural Biology, July 2024, International Union of Crystallography

    Dr Nigel W Moriarty

  2. Calculate ligand restraints in the protein binding pocket

    Article • Acta Crystallographica Section D Structural Biology, January 2023, International Union of Crystallography

    Dr Nigel W Moriarty

  3. A radical approach to radicals

    Article • Acta Crystallographica Section D Structural Biology, January 2022, International Union of Crystallography

    Dr Nigel W Moriarty

  4. Arginine off-kilter: guanidinium is not as planar as restraints denote

    Article • Acta Crystallographica Section D Structural Biology, November 2020, International Union of Crystallography

    Dr Nigel W Moriarty

  5. Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

    Article • Acta Crystallographica Section D Structural Biology, January 2020, International Union of Crystallography

    Dr Nigel W Moriarty

  6. Iron–sulfur clusters have no right angles

    Article • Acta Crystallographica Section D Structural Biology, January 2019, International Union of Crystallography

    Dr Nigel W Moriarty

  7. MolProbity: More and better reference data for improved all-atom structure validation

    Article • Protein Science, November 2017, Wiley

    Dr Nigel W Moriarty

  8. Interactive comparison and remediation of collections of macromolecular structures

    Article • Protein Science, November 2017, Wiley

    Dr Nigel W Moriarty

  9. Interactive geometry restraints editor

    Article • Acta Crystallographica Section D Structural Biology, February 2017, International Union of Crystallography

    Dr Nigel W Moriarty

  10. The CDL as the default restraints library in Phenix.

    Article • Acta Crystallographica Section D Structural Biology, January 2016, International Union of Crystallography

    Dr Nigel W Moriarty