Loading publications…
The last 5 uploaded publications
The <i>CCP</i>4 suite: integrative software for macromolecular crystallography
Jon Agirre, Mihaela Atanasova, Haroldas Bagdonas, Charles B. Ballard, Arnaud Baslé, James Beilsten‐Edmands, Rafael J. Borges, D. Brown, J. Javier Burgos-Mármol, John M. Berrisford, Paul S. Bond, Iracema Caballero, Lucrezia Catapano, Grzegorz Chojnowski, Atlanta G. Cook, Kevin Cowtan, Tristan I. Croll, J.E. Debreczeni, N. E. Devenish, E.J. Dodson, Tarik R. Drevon, Paul Emsley, Gwyndaf Evans, Phil Evans, Maria Fando, James Foadi, Luis Fuentes‐Montero, Elspeth F. Garman, Markus Gerstel, Richard J. Gildea, Kaushik Hatti, Maarten L. Hekkelman, Philipp Heuser, Soon Wen Hoh, Michael A. Hough, Huw T. Jenkins, Elisabet Jiménez, Robbie P. Joosten, Ronan M. Keegan, N.H. Keep, Eugene Krissinel, Petr Kolenko, Oleg Kovalevskiy, Victor S. Lamzin, David M. Lawson, Andrey A. Lebedev, Andrew G. W. Leslie, Bernhard Lohkamp, Fei Long, Martin Malý, Airlie J. McCoy, Stuart McNicholas, Ana Medina, Claudia Millán, James W. Murray, Garib N. Murshudov, Robert J. Nicholls, M.E.M. Noble, Robert D. Oeffner, Neesh Pannu, James M. Parkhurst, Nicholas M. Pearce, Joana Pereira, Anastassis Perrakis, Harold R. Powell, Randy J. Read, Daniel J. Rigden, William Rochira, Massimo Sammito, Filomeno Sánchez Rodríguez, In Memory: G.M. Sheldrick (1942–2025), Kathryn L. Shelley, Felix Šimkovic, Adam J. Simpkin, Pavol Skubák, E. V. Sobolev, Roberto A. Steiner, Kyle Stevenson, Ivo Tews, Jens M. H. Thomas, Andrea Thorn, Josep Triviño, Ville Uski, Isabel Usón, Alexei A. Vagin, Sameer Velankar, M. Vollmar, Helen Walden, David G. Waterman, Keith S. Wilson, Martyn Winn, Graeme Winter, Marcin Wojdyr, Keitaro Yamashita (2023). The <i>CCP</i>4 suite: integrative software for macromolecular crystallography. Acta Crystallographica Section D Structural Biology, 79(6), pp. 449-461, DOI: 10.1107/s2059798323003595.
Article146 days agoExploiting tertiary structure through local folds for crystallographic phasing
Massimo Sammito, Claudia Millán, Dayté D Rodríguez, Iñaki M. de Ilarduya, K. Meindl, Ivan De Marino, Giovanna Petrillo, Rubén M. Buey, José M. de Pereda, Kornelius Zeth, In Memory: G.M. Sheldrick (1942–2025), Isabel Usón (2013). Exploiting tertiary structure through local folds for crystallographic phasing. Nature Methods, 10(11), pp. 1099-1101, DOI: 10.1038/nmeth.2644.
Article146 days agoCombining phase information in reciprocal space for molecular replacement with partial models
Claudia Millán, Massimo Sammito, I. Garcia‐Ferrer, Theodoros Goulas, In Memory: G.M. Sheldrick (1942–2025), Isabel Usón (2015). Combining phase information in reciprocal space for molecular replacement with partial models. Acta Crystallographica Section D Biological Crystallography, 71(9), pp. 1931-1945, DOI: 10.1107/s1399004715013127.
Article146 days agoWe describe an algorithm for phasing protein crystal X-ray diffraction data that identifies, retrieves, refines and exploits general tertiary structural information from small fragments available in the Protein Data Bank. The algorithm successfully phased, through unspecific molecular replacement combined with density modification, all-helical, mixed alpha-beta, and all-beta protein structures. The method is available as a software implementation: Borges.
Massimo Sammito, Claudia Millán, Dayté D Rodríguez, Iñaki M. de Ilarduya, K. Meindl, Ivan De Marino, Rubén M. Buey, José M. de Pereda, Kornelius Zeth, In Memory: G.M. Sheldrick (1942–2025), Isabel Usón (2014). We describe an algorithm for phasing protein crystal X-ray diffraction data that identifies, retrieves, refines and exploits general tertiary structural information from small fragments available in the Protein Data Bank. The algorithm successfully phased, through unspecific molecular replacement combined with density modification, all-helical, mixed alpha-beta, and all-beta protein structures. The method is available as a software implementation: Borges..
Article146 days agoErratum: Corrigendum: Exploiting tertiary structure through local folds for crystallographic phasing
Massimo Sammito, Claudia Millán, Dayté D Rodríguez, Iñaki M. de Ilarduya, K. Meindl, Ivan De Marino, Giovanna Petrillo, Rubén M. Buey, José M. de Pereda, Kornelius Zeth, In Memory: G.M. Sheldrick (1942–2025), Isabel Usón (2014). Erratum: Corrigendum: Exploiting tertiary structure through local folds for crystallographic phasing. , 11 (7), DOI: https://doi.org/10.1038/nmeth0714-773b.
Corrigendum59 days ago