Nigel W Moriarty (Nigel Moriarty)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 37

Top Venues

Acta crystallographica. Section D, Structural biology

Nature

Nature communications

Research square

Australian Defence Force Academy (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Australian Defence Force Academy - Dec 22 1995

Australia

PHD :: Chemistry

Publications

Nigel W Moriarty, Jonathan Moussa, Paul D Adams
Protonation of histidine rings using quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 80 (Pt 8) (2024)
Nigel W Moriarty, Jonathan Moussa, Paul D Adams
Protonation of histidine rings using quantum-mechanical methods. Acta crystallographica. Section D, Structural biology (2024)
Nigel W Moriarty, Jonathan Moussa, Paul D Adams
Protonation of histidine rings using quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 80 (Pt 8) (2024)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Author Correction: Structural evidence for intermediates during O 2 formation in photosystem II. Nature (2024)
Nigel W Moriarty, Jonathan Moussa, Paul D Adams
Protonation of histidine rings using quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 80 (Pt 8) (2024)
Dorothee Liebschner, Pavel V Afonine, Billy K Poon, Nigel W Moriarty, Paul D Adams
Improved joint X-ray and neutron refinement procedure in Phenix. Acta crystallographica. Section D, Structural biology (2023)
Brian C Sanders, Suman Pokhrel, Audrey D Labbe, Irimpan I Mathews, Connor J Cooper, Russell B Davidson, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Hugh Michael O'Neill, Manat Kaur, Jurgen G Schmidt, Walter Reichard, Surekha Surendranathan, Jyothi Parvathareddy, Lexi Phillips, Christopher Rainville, David E Sterner, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W Moriarty, Paul D Adams, Andrzej Joachimiak, Brett L Hurst, Suresh Kumar, Tauseef R Butt, Colleen Beth Jonsson, Lori Ferrins, Soichi Wakatsuki, Stephanie Galanie, Martha S Head, Jerry M Parks
Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nature communications 14 (1) (2023)
Dorothee Liebschner, Nigel W Moriarty, Billy K Poon, Paul D Adams
In situ ligand restraints from quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 79 (Pt 2) (2023)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Structural evidence for intermediates during O 2 formation in photosystem II. Nature (2023)
Dorothee Liebschner, Nigel W Moriarty, Billy K Poon, Paul D Adams
In situ ligand restraints from quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 79 (Pt 2) (2023)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Structural evidence for intermediates during O 2 formation in photosystem II. Nature 617 (7961) (2023)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Structural evidence for intermediates during O 2 formation in photosystem II. Nature (2023)
Brian C Sanders, Suman Pokhrel, Audrey D Labbe, Irimpan I Mathews, Connor J Cooper, Russell B Davidson, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Hugh Michael O'Neill, Manat Kaur, Jurgen G Schmidt, Walter Reichard, Surekha Surendranathan, Jyothi Parvathareddy, Lexi Phillips, Christopher Rainville, David E Sterner, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W Moriarty, Paul D Adams, Andrzej Joachimiak, Brett L Hurst, Suresh Kumar, Tauseef R Butt, Colleen Beth Jonsson, Lori Ferrins, Soichi Wakatsuki, Stephanie Galanie, Martha S Head, Jerry M Parks
Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nature communications 14 (1) (2023)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Structural evidence for intermediates during O 2 formation in photosystem II. Nature 617 (7961) (2023)
Pavel V Afonine, Oleg V Sobolev, Nigel W Moriarty, Thomas C Terwilliger, Paul D Adams
Overall protein structure quality assessment using hydrogen-bonding parameters. Acta crystallographica. Section D, Structural biology (2023)
Asmit Bhowmick, Rana Hussein, Isabel Bogacz, Philipp S Simon, Mohamed Ibrahim, Ruchira Chatterjee, Margaret D Doyle, Mun Hon Cheah, Thomas Fransson, Petko Chernev, In-Sik Kim, Hiroki Makita, Medhanjali Dasgupta, Corey J Kaminsky, Miao Zhang, Julia Gätcke, Stephanie Haupt, Isabela I Nangca, Stephen M Keable, A Orkun Aydin, Kensure Tono, Shigeki Owada, Leland B Gee, Franklin D Fuller, Alexander Batyuk, Roberto Alonso Mori, James M Holton, Daniel W Paley, Nigel W Moriarty, Fikret Mamedov, Paul D Adams, Aaron S Brewster, Holger Dobbek, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Junko Yano, Vittal K Yachandra
Structural evidence for intermediates during O 2 formation in photosystem II. Nature 617 (7961) (2023)
Dorothee Liebschner, Nigel W Moriarty, Billy K Poon, Paul D Adams
In situ ligand restraints from quantum-mechanical methods. Acta crystallographica. Section D, Structural biology 79 (Pt 2) (2023)
Brian C Sanders, Suman Pokhrel, Audrey Labbe, Irimpan Mathews, Connor Cooper, Russell Davidson, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Hugh Michael O'Neill, Manat Kaur, Lori Ferrins, Jurgen G Schmidt, Walter Reichard, Surekha Surendranathan, Jyothi Parvathareddy, Lexi Phillips, Christopher Rainville, David Sterner, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W Moriarty, Paul D Adams, Andrzej Joachimiak, Brett L Hurst, Suresh Kumar, Tauseef Butt, Colleen Jonsson, Soichi Wakatsuki, Stephanie Galanie, Martha Head, Jerry M Parks
Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2. Research square (2022)
Youjia Liu, Malgorzata Biczysko, Nigel W Moriarty
A radical approach to radicals. Acta crystallographica. Section D, Structural biology 78 (Pt 1) (2022)
Brian Sanders, Suman Pohkrel, Audrey Labbe, Irimpan Mathews, Connor Cooper, Russell Davidson, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Hugh Michael O'Neill, Manat Kaur, Lori Ferrins, Jurgen Schmidt, Walter Reichard, Surekha Surendranathan, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W Moriarty, Paul D Adams, Andrzej Joachimiak, Colleen Jonsson, Soichi Wakatsuki, Stephanie Galanie, Martha Head, Jerry M Parks
Potent and Selective Covalent Inhibitors of the Papain-like Protease from SARS-CoV-2. Research square (2021)
Mohamed Ibrahim, Nigel W Moriarty, Jan F Kern, James M Holton, Aaron S Brewster, Asmit Bhowmick, Uwe Bergmann, Athina Zouni, Johannes Messinger, Vittal K Yachandra, Junko Yano, Holger Dobbek, Nicholas K Sauter, Paul D Adams
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 of the United States of America 118 (24) (2021)
Rana Hussein, Mohamed Ibrahim, Asmit Bhowmick, Philipp S Simon, Ruchira Chatterjee, Louise Lassalle, Margaret Doyle, Isabel Bogacz, In-Sik Kim, Mun Hon Cheah, Sheraz Gul, Casper de Lichtenberg, Petko Chernev, Cindy C Pham, Iris D Young, Sergio Carbajo, Franklin D Fuller, Roberto Alonso Mori, Alex Batyuk, Kyle D Sutherlin, Aaron S Brewster, Robert Bolotovsky, Derek Mendez, James M Holton, Nigel W Moriarty, Paul D Adams, Uwe Bergmann, Nicholas K Sauter, Holger Dobbek, Johannes Messinger, Athina Zouni, Jan F Kern, Vittal K Yachandra, Junko Yano
Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition. Nature communications 12 (1) (2021)
Dorothee Liebschner, Pavel V Afonine, Nigel W Moriarty, Billy K Poon, Vincent B Chen, Paul D Adams
CERES: a cryo-EM re-refinement system for continuous improvement of deposited models. Acta crystallographica. Section D, Structural biology 77 (Pt 1) (2021)
Mohamed Ibrahim, Thomas Fransson, Ruchira Chatterjee, Mun Hon Cheah, Rana Hussein, Louise Lassalle, Kyle D Sutherlin, Iris D Young, Franklin D Fuller, Sheraz Gul, In-Sik Kim, Philipp S Simon, Casper de Lichtenberg, Petko Chernev, Isabel Bogacz, Cindy C Pham, Allen M Orville, Nicholas Saichek, Trent Northen, Alexander Batyuk, Sergio Carbajo, Roberto Alonso-Mori, Kensuke Tono, Shigeki Owada, Asmit Bhowmick, Robert Bolotovsky, Derek Mendez, Nigel W Moriarty, James M Holton, Holger Dobbek, Aaron S Brewster, Paul D Adams, Nicholas K Sauter, Uwe Bergmann, Athina Zouni, Johannes Messinger, Jan F Kern, Vittal K Yachandra, Junko Yano
Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism. Proceedings of the National Academy of Sciences of the United States of America 117 (23) (2020)
Lum Wang, Holger Kruse, Oleg V Sobolev, Nigel W Moriarty, Mark P Waller, Pavel V Afonine, Malgorzata Biczysko
Real-space quantum-based refinement for cryo-EM: Q|R#3. Acta crystallographica. Section D, Structural biology 76 (Pt 12) (2020)
Nigel W Moriarty, Pawel A Janowski, Jason M Swails, Hai Nguyen, Jane S Richardson, David A Case, Paul D Adams
Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix. Acta crystallographica. Section D, Structural biology 76 (Pt 1) (2020)
Min Zheng, Malgorzata Biczysko, Yanting Xu, Nigel W Moriarty, Holger Kruse, Alexandre Urzhumtsev, Mark P Waller, Pavel V Afonine
Including crystallographic symmetry in quantum-based refinement: Q|R#2. Acta crystallographica. Section D, Structural biology 76 (Pt 1) (2020)
Nigel W Moriarty, Dorothee Liebschner, Dale E Tronrud, Paul D Adams
Arginine off-kilter: guanidinium is not as planar as restraints denote. Acta crystallographica. Section D, Structural biology 76 (Pt 12) (2020)
Nigel W Moriarty, Paul D Adams
Iron-sulfur clusters have no right angles. Acta crystallographica. Section D, Structural biology 75 (Pt 1) (2019)
Dorothee Liebschner, Pavel V Afonine, Matthew L Baker, Gábor Bunkóczi, Vincent B Chen, Tristan I Croll, Bradley J Hintze, Li-Wei Hung, Swati Jain, Airlie J McCoy, Nigel W Moriarty, Robert D Oeffner, Billy K Poon, Michael G Prisant, Randy J Read, Jane S Richardson, David C Richardson, Massimo D Sammito, Oleg V Sobolev, Duncan H Stockwell, Thomas C Terwilliger, Alexandre G Urzhumtsev, Lizbeth L Videau, Christopher J Williams, Paul D Adams
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. Acta crystallographica. Section D, Structural biology 75 (Pt 10) (2019)
Paul D Adams, Pavel V Afonine, Kumaran Baskaran, Helen M Berman, John Berrisford, Gerard Bricogne, David G Brown, Stephen K Burley, Minyu Chen, Zukang Feng, Claus Flensburg, Aleksandras Gutmanas, Jeffrey C Hoch, Yasuyo Ikegawa, Yumiko Kengaku, Eugene Krissinel, Genji Kurisu, Yu-He Liang, Dorothee Liebschner, Lora Mak, John L Markley, Nigel W Moriarty, Garib N Murshudov, Martin Noble, Ezra Peisach, Irina Persikova, Billy K Poon, Oleg V Sobolev, Eldon L Ulrich, Sameer Velankar, Clemens Vonrhein, John D Westbrook, Marcin Wojdyr, Masashi Yokochi, Jasmine Y Young
Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB). Acta crystallographica. Section D, Structural biology 75 (Pt 4) (2019)
Dorothee Liebschner, Pavel V Afonine, Nigel W Moriarty, Paul Langan, Paul D Adams
Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition. Acta crystallographica. Section D, Structural biology 74 (Pt 8) (2018)
Pavel V Afonine, Bruno P Klaholz, Nigel W Moriarty, Billy K Poon, Oleg V Sobolev, Thomas C Terwilliger, Paul D Adams, Alexandre Urzhumtsev
New tools for the analysis and validation of cryo-EM maps and atomic models. Acta crystallographica. Section D, Structural biology 74 (Pt 9) (2018)
Zhongming Jiang, Malgorzata Biczysko, Nigel W Moriarty
Accurate geometries for "Mountain pass" regions of the Ramachandran plot using quantum chemical calculations. Proteins 86 (3) (2018)
Nigel W Moriarty, Dorothee Liebschner, Herbert E Klei, Nathaniel Echols, Pavel V Afonine, Jeffrey J Headd, Billy K Poon, Paul D Adams
Interactive comparison and remediation of collections of macromolecular structures. Protein science : a publication of the Protein Society 27 (1) (2017)
Christopher J Williams, Jeffrey J Headd, Nigel W Moriarty, Michael G Prisant, Lizbeth L Videau, Lindsay N Deis, Vishal Verma, Daniel A Keedy, Bradley J Hintze, Vincent B Chen, Swati Jain, Steven M Lewis, W Bryan Arendall, Jack Snoeyink, Paul D Adams, Simon C Lovell, Jane S Richardson, David C Richardson
MolProbity: More and better reference data for improved all-atom structure validation. Protein science : a publication of the Protein Society 27 (1) (2017)
Min Zheng, Nigel W Moriarty, Yanting Xu, Jeffrey R Reimers, Pavel V Afonine, Mark P Waller
Solving the scalability issue in quantum-based refinement: Q|R#1. Acta crystallographica. Section D, Structural biology 73 (Pt 12) (2017)

Nigel W Moriarty.css-eqlu8i{font-size:small;padding-left:4px;} (Nigel Moriarty)

Publication Activity (10 Years)

Top Topics

Top Venues

Nigel W Moriarty (Nigel Moriarty)