All Stories

  1. High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement withPHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure

    Article • Acta Crystallographica Section D Structural Biology, October 2018, International Union of Crystallography

    Dr Oleg Borbulevych

  2. XModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement

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

    Dr Oleg Borbulevych