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Bibby, Jaclyn [Author]; Keegan, Ronan M. [Author]; Mayans, Olga [Author]; Winn, Martyn D. [Author]; Rigden, Daniel John [Author]

Application of the AMPLE cluster-and-truncate approach to NMR structures for molecular replacement

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Konstanz: Bibliothek der Universität Konstanz, 2013
Bibby, Jaclyn [Author]; Keegan, Ronan M. [Author]; Mayans, Olga [Author]; Winn, Martyn D. [Author]; Rigden, Daniel John [Author]

AMPLE : a cluster-and-truncate approach to solve the crystal structures of small proteins using rapidly computed ab initio models

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Konstanz: Bibliothek der Universität Konstanz, 2012
Rigden, Daniel J. [Author]; Thomas, Jens M. H. [Author]; Simkovic, Felix [Author]; Simpkin, Adam [Author]; Winn, Martyn D. [Author]; Mayans, Olga [Author]; Keegan, Ronan M. [Author]

Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE

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Konstanz: Bibliothek der Universität Konstanz, 2018
Simkovic, Felix [Author]; Thomas, Jens M. H. [Author]; Keegan, Ronan M. [Author]; Winn, Martyn D. [Author]; Mayans, Olga [Author]; Rigden, Daniel John [Author]

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds

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Konstanz: Bibliothek der Universität Konstanz, 2016
Thomas, Jens M. H. [Author]; Keegan, Ronan M. [Author]; Bibby, Jaclyn [Author]; Winn, Martyn D. [Author]; Mayans, Olga [Author]; Rigden, Daniel John [Author]

Routine phasing of coiled-coil protein crystal structures with AMPLE

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Konstanz: Bibliothek der Universität Konstanz, 2015
Thomas, Jens M. H. [Author]; Simkovic, Felix [Author]; Keegan, Ronan [Author]; Mayans, Olga [Author]; Zhang, Chengxin [Author]; Zhang, Yang [Author]; Rigden, Daniel J [Author]

Approaches to ab initio molecular replacement of α-helical transmembrane proteins

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Konstanz: Bibliothek der Universität Konstanz, 2017
Keegan, Ronan M. [Author]; Bibby, Jaclyn [Author]; Thomas, Jens M. H. [Author]; Xu, Dong [Author]; Zhang, Yang [Author]; Mayans, Olga [Author]; Winn, Martyn D. [Author]; Rigden, Daniel John [Author]

Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models

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Konstanz: Bibliothek der Universität Konstanz, 2015
Keegan, Ronan M.; Winn, Martyn D.

MrBUMP: an automated pipeline for molecular replacement

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International Union of Crystallography (IUCr), 2008

Published in: Acta Crystallographica Section D Biological Crystallography, 64 (2008) 1, Seite 119-124
Keegan, Ronan M.; Winn, Martyn D.

Automated search-model discovery and preparation for structure solution by molecular replacement

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International Union of Crystallography (IUCr), 2007

Published in: Acta Crystallographica Section D Biological Crystallography, 63 (2007) 4, Seite 447-457
Rigden, Daniel J.; Keegan, Ronan M.; Winn, Martyn D.

Molecular replacement usingab initiopolyalanine models generated withROSETTA

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International Union of Crystallography (IUCr), 2008

Published in: Acta Crystallographica Section D Biological Crystallography, 64 (2008) 12, Seite 1288-1291
Simpkin, Adam J.; Thomas, Jens M. H.; Keegan, Ronan M.; Rigden, Daniel J.

MrParse: finding homologues in the PDB and the EBI AlphaFold database for molecular replacement and more

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International Union of Crystallography (IUCr), 2022

Published in: Acta Crystallographica Section D Structural Biology, 78 (2022) 5, Seite 553-559
Simpkin, Adam J.; Thomas, Jens M. H.; Keegan, Ronan M.; Rigden, Daniel J.

Exploiting new generation ab initio and homology models from databases for MR

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International Union of Crystallography (IUCr), 2021

Published in: Acta Crystallographica Section A Foundations and Advances, 77 (2021) a2, Seite C688-C688
Thomas, Jens M. H.; Keegan, Ronan M.; Rigden, Daniel J.; Davies, Owen R.

Extending the scope of coiled-coil crystal structure solution byAMPLEthrough improvedab initiomodelling

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International Union of Crystallography (IUCr), 2020

Published in: Acta Crystallographica Section D Structural Biology, 76 (2020) 3, Seite 272-284
Simpkin, Adam J.; Thomas, Jens M. H.; Simkovic, Felix; Keegan, Ronan M.; Rigden, Daniel J.

Molecular replacement using structure predictions from databases

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International Union of Crystallography (IUCr), 2019

Published in: Acta Crystallographica Section D Structural Biology, 75 (2019) 12, Seite 1051-1062
Thomas, Jens M. H.; Simkovic, Felix; Keegan, Ronan M.; Mayans, Olga; Rigden, Daniel J.

Unconventional molecular replacement approaches for ab initio phasing of transmembrane helical protein targets

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International Union of Crystallography (IUCr), 2016

Published in: Acta Crystallographica Section A Foundations and Advances, 72 (2016) a1, Seite s224-s224
Sánchez Rodríguez, Filomeno; Chojnowski, Grzegorz; Keegan, Ronan M.; Rigden, Daniel J.

Using deep-learning predictions of inter-residue distances for model validation

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International Union of Crystallography (IUCr), 2022

Published in: Acta Crystallographica Section D Structural Biology, 78 (2022) 12, Seite 1412-1427
Sanchez Rodriguez, Filomeno; Keegan, Ronan M.; Vollmar, Melanie; Evans, Gwyndaf; Rigden, Daniel J.

Applications of residue contact predictions in structural biology

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International Union of Crystallography (IUCr), 2021

Published in: Acta Crystallographica Section A Foundations and Advances, 77 (2021) a2, Seite C48-C48
Usón, Isabel; Ballard, Charles C.; Keegan, Ronan M.; Read, Randy J.

Integrated, rational molecular replacement

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International Union of Crystallography (IUCr), 2021

Published in: Acta Crystallographica Section D Structural Biology, 77 (2021) 2, Seite 129-130
Burgos-Mármol, José Javier; Keegan, Ronan M.; Krissinel, Eugene; Rigden, Daniel J.

PISACov: expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure

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International Union of Crystallography (IUCr), 2021

Published in: Acta Crystallographica Section A Foundations and Advances, 77 (2021) a2, Seite C693-C693
Simpkin, Adam J.; Winn, Martyn D.; Rigden, Daniel J.; Keegan, Ronan M.

Redeployment of automated MrBUMP search-model identification for map fitting in cryo-EM

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International Union of Crystallography (IUCr), 2021

Published in: Acta Crystallographica Section D Structural Biology, 77 (2021) 11, Seite 1378-1385

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