Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix D Liebschner, PV Afonine, ML Baker, G Bunkóczi, VB Chen, TI Croll, ... Acta Crystallographica Section D: Structural Biology 75 (10), 861-877, 2019 | 4388 | 2019 |
The CCP4 suite: integrative software for macromolecular crystallography J Agirre, M Atanasova, H Bagdonas, CB Ballard, A Baslé, ... Acta Crystallographica Section D: Structural Biology 79 (6), 449-461, 2023 | 166 | 2023 |
Exploiting tertiary structure through local folds for crystallographic phasing M Sammito, C Millán, DD Rodríguez, IM De Ilarduya, K Meindl, ... Nature Methods 10 (11), 1099-1101, 2013 | 79 | 2013 |
Implications of AlphaFold2 for crystallographic phasing by molecular replacement AJ McCoy, MD Sammito, RJ Read Acta Crystallographica Section D: Structural Biology 78 (1), 1-13, 2022 | 73 | 2022 |
Evaluation of template‐based modeling in CASP13 TI Croll, MD Sammito, A Kryshtafovych, RJ Read Proteins: Structure, Function, and Bioinformatics 87 (12), 1113-1127, 2019 | 68 | 2019 |
Macromolecular ab initio phasing enforcing secondary and tertiary structure C Millán, M Sammito, I Usón IUCrJ 2 (1), 95-105, 2015 | 65 | 2015 |
Practical structure solution with ARCIMBOLDO D Rodríguez, M Sammito, K Meindl, IM de Ilarduya, M Potratz, ... Acta Crystallographica Section D: Biological Crystallography 68 (4), 336-343, 2012 | 64 | 2012 |
ARCIMBOLDO_LITE: single-workstation implementation and use M Sammito, C Millán, D Frieske, E Rodríguez-Freire, RJ Borges, I Usón Acta Crystallographica Section D: Biological Crystallography 71 (9), 1921-1930, 2015 | 62 | 2015 |
Structure solution with ARCIMBOLDO using fragments derived from distant homology models M Sammito, K Meindl, IM de Ilarduya, C Millán, C Artola‐Recolons, ... The FEBS journal 281 (18), 4029-4045, 2014 | 56 | 2014 |
On the application of the expected log-likelihood gain to decision making in molecular replacement RD Oeffner, PV Afonine, C Millán, M Sammito, I Usón, RJ Read, ... Acta Crystallographica Section D: Structural Biology 74 (4), 245-255, 2018 | 48 | 2018 |
Assessing the utility of CASP14 models for molecular replacement C Millán, RM Keegan, J Pereira, MD Sammito, AJ Simpkin, AJ McCoy, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1752-1769, 2021 | 44 | 2021 |
The amphibian antimicrobial peptide uperin 3.5 is a cross-α/cross-β chameleon functional amyloid N Salinas, E Tayeb-Fligelman, MD Sammito, D Bloch, R Jelinek, D Noy, ... Proceedings of the National Academy of Sciences 118 (3), e2014442118, 2021 | 44 | 2021 |
ARCIMBOLDO on coiled coils I Caballero, M Sammito, C Millán, A Lebedev, N Soler, I Usón Acta Crystallographica Section D: Structural Biology 74 (3), 194-204, 2018 | 41 | 2018 |
Exploiting distant homologues for phasing through the generation of compact fragments, local fold refinement and partial solution combination C Millán, MD Sammito, AJ McCoy, AFZ Nascimento, G Petrillo, ... Acta Crystallographica Section D: Structural Biology 74 (4), 290-304, 2018 | 40 | 2018 |
Evaluation of model refinement in CASP13 RJ Read, MD Sammito, A Kryshtafovych, TI Croll Proteins: Structure, Function, and Bioinformatics 87 (12), 1249-1262, 2019 | 30 | 2019 |
Structure solution of DNA-binding proteins and complexes with ARCIMBOLDO libraries K Pröpper, K Meindl, M Sammito, B Dittrich, GM Sheldrick, E Pohl, I Usón Acta Crystallographica Section D: Biological Crystallography 70 (6), 1743-1757, 2014 | 27 | 2014 |
Gyre and gimble: a maximum-likelihood replacement for Patterson correlation refinement AJ McCoy, RD Oeffner, C Millán, M Sammito, I Usón, RJ Read Acta Crystallographica Section D: Structural Biology 74 (4), 279-289, 2018 | 23 | 2018 |
Vaccinia virus immunomodulator A46: A lipid and protein-binding scaffold for sequestering host TIR-domain proteins S Fedosyuk, GA Bezerra, K Radakovics, TK Smith, M Sammito, N Bobik, ... PLoS Pathogens 12 (12), e1006079, 2016 | 23 | 2016 |
Combining phase information in reciprocal space for molecular replacement with partial models C Millán, M Sammito, I Garcia-Ferrer, T Goulas, GM Sheldrick, I Uson Acta Crystallographica Section D: Biological Crystallography 71 (9), 1931-1945, 2015 | 23 | 2015 |
ALEPH: a network-oriented approach for the generation of fragment-based libraries and for structure interpretation A Medina, J Trivino, RJ Borges, C Millán, I Uson, MD Sammito Acta Crystallographica Section D: Structural Biology 76 (3), 193-208, 2020 | 21 | 2020 |