Nigel W Moriarty

32PUBLICATIONS
109CO-AUTHORS
Metal cluster chemistryAtomic and molecular physicsBiomolecular modelling and designBioinformatic methods developmentComputational chemistry
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Publications (32)

|Aug 22, 2026
An additional water is introduced into the manganese cluster during the formation of the S3 state of photosystem II.

|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

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Frequent Collaborators

19 joint publications

Paul D Adams

10 joint publications

Pavel V Afonine

9 joint publications

Dorothee Liebschner

6 joint publications

Billy K Poon