Nigel W Moriarty
31PUBLICATIONS
102CO-AUTHORS
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Publications (31)
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|Apr 10, 2026
pyDiSCaMB: enabling the use of multipolar scattering factors in Phenix.Viljar J Femoen, Laura Pacoste, Michał Leszek Chodkiewicz
|Feb 18, 2026
Validated ligand geometries for macromolecular refinement restraints and molecular-mechanics force fields.Nigel W Moriarty, David A Case, Dorothee Liebschner
|Jan 12, 2026
New targets and procedures for validating the valence geometry of nucleic acid structures.Jiří Černý, Robert A Nicholls, Dariusz Brzezinski
|Oct 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structures.Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe
|Aug 06, 2025
Validated ligand geometries for macromolecular refinement restraints and molecular mechanics force fields.Nigel W Moriarty, David A Case, Dorothee Liebschner
|Jul 25, 2024
Protonation of histidine rings using quantum-mechanical methods.Nigel W Moriarty, Jonathan Moussa, Paul D Adams
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Frequent Collaborators
18 joint publications
Paul D Adams
9 joint publications
Dorothee Liebschner
9 joint publications
Pavel V Afonine
6 joint publications
Billy K Poon
5 joint publications
Oleg V Sobolev
5 joint publications
Malgorzata Biczysko
4 joint publications
Uwe Bergmann
4 joint publications
Aaron S Brewster
4 joint publications
Holger Dobbek
4 joint publications
James M Holton
