Nigel W. Moriarty

Materials ScienceBiochemistry, Genetics and Molecular BiologyComputer Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 2%percentile

3.0Author DataRank

Indexed papers

2in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 2 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology

Journal of Molecular Biology(2022)10.1016/j.jmb.2022.167599

Top 10%

2.1DataRank

Top 10%95 citations

Jasmine Young, Chenghua Shao, Zukang Feng, Vladimir Guranović, Catherine L. Lawson +17 more

Papers

Driven by 29 papers — median percentile 83. Top paper: “Untangling the sequence of events during the S 2 → S 3 transition in photosystem II and implications for the water oxidation mechanism”.

Untangling the sequence of events during the S 2 → S 3 transition in photosystem II and implications for the water oxidation mechanism

Proceedings of the National Academy of Sciences(2020)10.1073/pnas.2000529117

N/A

4.8DataRank · unranked

239 citations

Thomas Fransson, Ruchira Chatterjee, Mun Hon Cheah, Rana Hussein, Louise Lassalle +34 more

PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology

Journal of Molecular Biology(2022)10.1016/j.jmb.2022.167599

Top 10%

2.1DataRank

Top 10%95 citations

Jasmine Young, Chenghua Shao, Zukang Feng, Vladimir Guranović, Catherine L. Lawson +17 more

PHENIX: a comprehensive Python-based system for macromolecular structure solution

Acta Crystallographica Section D Biological Crystallography(2010)10.1107/s0907444909052925

N/A

1.5DataRank · unranked

24351 citations

Pavel V. Afonine, Gábor Bunkóczi, Vincent B. Chen, Ian W. Davis, Nathaniel Echols +19 more

Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge

Nature Methods(2024)10.1038/s41592-024-02321-7

Top 23%

0.871DataRank

Top 23%18 citations

Andriy Kryshtafovych, Grigore Pintilie, S.K. Burley, Jiri Cerny, Vincent B. Chen +76 more

Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2

Nature Communications(2023)10.1038/s41467-023-37254-w

N/A

0.686DataRank · unranked

96 citations

Suman Pokhrel, Audrey Labbé, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson +28 more

XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase

Journal of Inorganic Biochemistry(2022)10.1016/j.jinorgbio.2022.111768

N/A

0.442DataRank · unranked

18 citations

Medhanjali Dasgupta, Anjali Patwardhan, Isabel Bogacz, Corey J. Kaminsky, Margaret Doyle +24 more

AQuaRef: machine learning accelerated quantum refinement of protein structures

Nature Communications(2025)10.1038/s41467-025-64313-1

N/A

0.373DataRank · unranked

11 citations

Małgorzata Biczysko, Kavindri Ranasinghe, Nigel W. Moriarty, Hatice Gökcan, Holger Kruse +7 more

Characterization of lignin-degrading enzyme PmdC, which catalyzes a key step in the synthesis of polymer precursor 2-pyrone-4,6-dicarboxylic acid

Journal of Biological Chemistry(2024)10.1016/j.jbc.2024.107736

N/A

0.300DataRank · unranked

5 citations

Nigel W. Moriarty, Ramu Kakumanu, Andy DeGiovanni, J.H. Pereira, Jennifer Gin +5 more

New targets and procedures for validating the valence geometry of nucleic acid structures

Nucleic Acids Research(2025)10.1093/nar/gkaf1335

N/A

0.165DataRank · unranked

2 citations

Robert A. Nicholls, Dariusz Brzeziński, Helen M. Berman, Mirosław Gilski, Robbie P. Joosten +10 more

Macromolecular refinement of X-ray and cryoelectron microscopy structures with Phenix/OPLS3e for improved structure and ligand quality

Structure(2021)10.1016/j.str.2021.03.011

N/A

0DataRank · unranked

69 citations

Nigel W. Moriarty, Oleg V. Sobolev, Paul D. Adams, Kenneth Borrelli, Gydo C. P. van Zundert

Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I

Scientific Reports(2021)10.1038/s41598-021-00236-3

N/A

0DataRank · unranked

23 citations

Adrian Kölsch, Philipp S. Simon, Medhanjali Dasgupta, Ruchira Chatterjee, S. Subramanian +42 more

Reply to Wang et al.: Clear evidence of binding of Ox to the oxygen-evolving complex of photosystem II is best observed in the omit map

Proceedings of the National Academy of Sciences(2021)10.1073/pnas.2102342118

N/A

0DataRank · unranked

16 citations

Nigel W. Moriarty, Jan Kern, James M. Holton, Aaron S. Brewster, Asmit Bhowmick +9 more

Potent and Selective Covalent Inhibitors of the Papain-like Protease from SARS-CoV-2

Research Square(2021)10.21203/rs.3.rs-906621/v1

N/A

0DataRank · unranked

13 citations

Suman Pohkrel, Audrey Labbé, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson +21 more

What are the current limits on determination of protonation state using neutron macromolecular crystallography?

Methods in enzymology on CD-ROM/Methods in enzymology(2020)10.1016/bs.mie.2020.01.008

N/A

0DataRank · unranked

3 citations

Pavel V. Afonine, Nigel W. Moriarty, Paul D. Adams, Dorothée Liebschner

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

Acta Crystallographica Section D Structural Biology(2020)10.1107/s2059798320013534

N/A

0DataRank · unranked

15 citations

Dorothée Liebschner, Dale E. Tronrud, Paul D. Adams, Nigel W. Moriarty

Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2

Research Square(2022)10.21203/rs.3.rs-906621/v2

N/A

0DataRank · unranked

0 citations

Suman Pokhrel, Audrey Labbé, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson +28 more

Structural evidence for intermediates during O2 formation in photosystem II

Nature(2023)10.1038/s41586-023-06038-z

N/A

0DataRank · unranked

171 citations

Rana Hussein, Isabel Bogacz, Philipp S. Simon, Mohamed Ibrahim, Ruchira Chatterjee +35 more

CERES: a cryo-EM re-refinement system for continuous improvement of deposited models

Acta Crystallographica Section D Structural Biology(2020)10.1107/s2059798320015879

N/A

0DataRank · unranked

22 citations

Pavel V. Afonine, Nigel W. Moriarty, Billy K. Poon, Vincent B. Chen, Paul D. Adams +1 more

In situ ligand restraints from quantum-mechanical methods

Acta Crystallographica Section D Structural Biology(2023)10.1107/s2059798323000025

N/A

0DataRank · unranked

21 citations

Nigel W. Moriarty, Billy K. Poon, Paul D. Adams, Dorothée Liebschner

Improved joint X-ray and neutron refinement procedure in Phenix

Acta Crystallographica Section D Structural Biology(2023)10.1107/s2059798323008914

N/A

0DataRank · unranked

11 citations

Pavel V. Afonine, Billy K. Poon, Nigel W. Moriarty, Paul D. Adams, Dorothée Liebschner

Overall protein structure quality assessment using hydrogen-bonding parameters

Acta Crystallographica Section D Structural Biology(2023)10.1107/s2059798323005077

N/A

0DataRank · unranked

9 citations

Oleg V. Sobolev, Nigel W. Moriarty, Thomas C. Terwilliger, Paul D. Adams, Pavel V. Afonine

A Global Ramachandran Score Identifies Protein Structures with Unlikely Stereochemistry

Structure(2020)10.1016/j.str.2020.08.005

N/A

0DataRank · unranked

213 citations

Pavel V. Afonine, Nigel W. Moriarty, Maarten L. Hekkelman, Robbie P. Joosten, Anastassis Perrakis +2 more

Protonation of histidine rings using quantum-mechanical methods

Acta Crystallographica Section D Structural Biology(2024)10.1107/s2059798324006314

N/A

0DataRank · unranked

2 citations

Jonathan E. Moussa, Paul D. Adams, Nigel W. Moriarty

Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge

Research Square(2024)10.21203/rs.3.rs-3864137/v1

N/A

0DataRank · unranked

2 citations

Andriy Kryshtafovych, Grigore Pintilie, S.K. Burley, Jiri Cerny, Vincent Chen +76 more

Structure of active methyl-CoM reductase, Earth’s main methane producer

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.04.26.650772

N/A

0DataRank · unranked

2 citations

Macon J. Abernathy, Darya Marchany‐Rivera, David G. Villareal, Philipp S. Simon, Artem Y. Lyubimov +23 more

A global Ramachandran score identifies protein structures with unlikely stereochemistry

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.03.26.010587

N/A

0DataRank · unranked

16 citations

Pavel V. Afonine, Nigel W. Moriarty, Maarten L. Hekkelman, Robbie P. Joosten, Anastassis Perrakis +2 more

Validated ligand geometries for macromolecular refinement restraints and molecular mechanics force fields

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.08.01.668229

N/A

0DataRank · unranked

0 citations

David A. Case, Dorothée Liebschner, Paul D. Adams, Nigel W. Moriarty

Macromolecular refinement of X-ray and cryo-electron microscopy structures with Phenix / OPLS3e for improved structure and ligand quality

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.07.10.198093

N/A

0DataRank · unranked

6 citations

Nigel W. Moriarty, Oleg V. Sobolev, Paul D. Adams, Kenneth Borrelli, Gydo C. P. van Zundert

Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition

Nature Communications(2021)10.1038/s41467-021-26781-z

N/A

0DataRank · unranked

149 citations

Mohamed Ibrahim, Asmit Bhowmick, Philipp S. Simon, Ruchira Chatterjee, Louise Lassalle +29 more

Nigel W. Moriarty

Indexed papers

Top data-sharing exemplar

Papers