المؤلفون: Dialpuri, Jordan S, Bagdonas, Haroldas, Schofield, Lucy C, Pham, Phuong Thao, Holland, Lou, Bond, Paul S, Sánchez Rodríguez, Filomeno, McNicholas, Stuart J, Agirre, Jon

وصف الملف: text

Relation: https://eprints.whiterose.ac.uk/208491/1/va5056.pdf; Dialpuri, Jordan S, Bagdonas, Haroldas, Schofield, Lucy C et al. (6 more authors) (2024) Online carbohydrate 3D structure validation with the Privateer web app. Acta crystallographica. Section F, Structural biology communications. ISSN 2053-230X

الاتاحة: https://eprints.whiterose.ac.uk/208491/
https://eprints.whiterose.ac.uk/208491/1/va5056.pdf
https://doi.org/10.1107/S2053230X24000359

المؤلفون: Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B, Baslé, Arnaud, Beilsten-Edmands, James, Borges, Rafael J, Brown, David G, Burgos-Mármol, J Javier, Berrisford, John M, Bond, Paul S, Caballero, Iracema, Catapano, Lucrezia, Chojnowski, Grzegorz, Cook, Atlanta G, Cowtan, Kevin D, Croll, Tristan I, Debreczeni, Judit É, Devenish, Nicholas E, Dodson, Eleanor J, Drevon, Tarik R, Emsley, Paul, Evans, Gwyndaf, Evans, Phil R, Fando, Maria, Foadi, James, Fuentes-Montero, Luis, Garman, Elspeth F, Gerstel, Markus, Gildea, Richard J, Hatti, Kaushik, Hekkelman, Maarten L, Heuser, Philipp, Hoh, Soon Wen, Hough, Michael A, Jenkins, Huw T, Jiménez, Elisabet, Joosten, Robbie P, Keegan, Ronan M, Keep, Nicholas, Krissinel, Eugene B, Kolenko, Petr, Kovalevskiy, Oleg, Lamzin, Victor S, Lawson, David M, Lebedev, Andrey A, Leslie, Andrew GW, Lohkamp, Bernhard, Long, Fei, Malý, Martin, McCoy, Airlie J, McNicholas, Stuart J, Medina, Ana, Millán, Claudia, Murray, James W, Murshudov, Garib N, Nicholls, Robert A, Noble, Martin EM, Oeffner, Robert, Pannu, Navraj S, Parkhurst, James M, Pearce, Nicholas, Pereira, Joana, Perrakis, Anastassis, Powell, Harold R, Read, Randy J, Rigden, Daniel J, Rochira, William, Sammito, Massimo, Sánchez Rodríguez, Filomeno, Sheldrick, George M, Shelley, Kathryn L, Simkovic, Felix, Simpkin, Adam J, Skubak, Pavol, Sobolev, Egor, Steiner, Roberto A, Stevenson, Kyle, Tews, Ivo, Thomas, Jens MH, Thorn, Andrea, Valls, Josep Triviño, Uski, Ville, Usón, Isabel, Vagin, Alexei, Velankar, Sameer, Vollmar, Melanie, Walden, Helen, Waterman, David, Wilson, Keith S, Winn, Martyn D, Winter, Graeme, Wojdyr, Marcin, Yamashita, Keitaro

المصدر: nlmid: 101676043 ; essn: 2059-7983

مصطلحات موضوعية: CCP4, Collaborative Computational Project No. 4, crystallography software, macromolecular crystallography, Proteins, Crystallography, X-Ray, Software, Macromolecular Substances

وصف الملف: application/pdf

Relation: https://www.repository.cam.ac.uk/handle/1810/350777

الاتاحة: https://www.repository.cam.ac.uk/handle/1810/350777

المؤلفون: Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B., Baslé, Arnaud, Beilsten-Edmands, James, Borges, Rafael J., Brown, David G., Burgos-Mármol, J. Javier, Berrisford, John M., Bond, Paul S., Caballero, Iracema, Catapano, Lucrezia, Chojnowski, Grzegorz, Cook, Atlanta G., Cowtan, Kevin D., Croll, Tristan I., Debreczeni, Judit É., Devenish, Nicholas E., Dodson, Eleanor J., Drevon, Tarik R., Emsley, Paul, Evans, Gwyndaf, Evans, Phil R., Fando, Maria, Foadi, James, Fuentes-Montero, Luis, Garman, Elspeth F., Gerstel, Markus, Gildea, Richard J., Hatti, Kaushik, Hekkelman, Maarten L., Heuser, Philipp, Hoh, Soon Wen, Hough, Michael A., Jenkins, Huw T., Jiménez, Elisabet, Joosten, Robbie P., Keegan, Ronan M., Keep, Nicholas, Krissinel, Eugene B., Kolenko, Petr, Kovalevskiy, Oleg, Lamzin, Victor S., Lawson, David M., Lebedev, Andrey A., Leslie, Andrew G. W., Lohkamp, Bernhard, Long, Fei, Malý, Martin, McCoy, Airlie J., McNicholas, Stuart J., Medina, Ana, Millán, Claudia, Murray, James W., Murshudov, Garib N., Nicholls, Robert A., Noble, Martin E. M., Oeffner, Robert, Pannu, Navraj S., Parkhurst, James M., Pearce, Nicholas, Pereira, Joana, Perrakis, Anastassis, Powell, Harold R., Read, Randy J., Rigden, Daniel J., Rochira, William, Sammito, Massimo, Sánchez Rodríguez, Filomeno, Sheldrick, George M., Shelley, Kathryn L., Simkovic, Felix, Simpkin, Adam J., Skubak, Pavol, Sobolev, Egor, Steiner, Roberto A., Stevenson, Kyle, Tews, Ivo, Thomas, Jens M. H., Thorn, Andrea, Valls, Josep Triviño, Uski, Ville, Usón, Isabel, Vagin, Alexei, Velankar, Sameer, Vollmar, Melanie, Walden, Helen, Waterman, David, Wilson, Keith S., Winn, Martyn D., Winter, Graeme, Wojdyr, Marcin, Yamashita, Keitaro

وصف الملف: text

Relation: https://eprints.gla.ac.uk/299893/1/299893.pdf; Agirre, J. et al. (2023) The CCP 4 suite: integrative software for macromolecular crystallography. Acta Crystallographica. Section D: Structural Biology , D79(6), pp. 449-461. (doi:10.1107/S2059798323003595 )

الاتاحة: https://eprints.gla.ac.uk/299893/
https://eprints.gla.ac.uk/299893/1/299893.pdf

المؤلفون: Simpkin, A. J., Caballero, Iracema, McNicholas, S., Stevenson, Kyle, Jiménez, Elisabet, Sánchez Rodríguez, Filomeno, Fando, M., Uski, V., Ballard, Charles B., Chojnowski, G., Lebedev, Andrey, Krissinel, E., Usón, Isabel, Rigden, D. J., Keegan, R. M.

المساهمون: University of Liverpool, Diamond Light Source (UK), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España)

مصطلحات موضوعية: CCP4, Predicted models, Molecular replacement, Macromolecular crystallography, Structure determination

وصف الملف: application/pdf

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-128751NB-I00/ES/DESARROLLO DE METODOS ESTRUCTURALES (VII) Y SU APLICACION A CATALISIS AVANZADA/; info:eu-repo/grantAgreement/AEI//PRE2019-087953; Publisher's version; The underlying dataset has been published as supplementary material of the article in the publisher platform at 10.1107/S2059798323006289; https://doi.org/10.1107/S2059798323006289; Sí; Acta Crystallographica Section D: Structural Biology 79(9): 806-819 (2023); http://hdl.handle.net/10261/351629

الاتاحة: http://hdl.handle.net/10261/351629
https://doi.org/10.1107/S2059798323006289

المؤلفون: Simpkin, Adam J., Mesdaghi, Shahram, Sánchez Rodríguez, Filomeno, Elliott, Luc, Murphy, David L., Kryshtafovych, Andriy, Keegan, Ronan M., Rigden, Daniel J.

المساهمون: Biotechnology and Biological Sciences Research Council, National Institute of General Medical Sciences

المصدر: Proteins: Structure, Function, and Bioinformatics ; volume 91, issue 12, page 1616-1635 ; ISSN 0887-3585 1097-0134

الاتاحة: http://dx.doi.org/10.1002/prot.26593
https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26593

المؤلفون: Simpkin, Adam J., Sánchez Rodríguez, Filomeno, Mesdaghi, Shahram, Kryshtafovych, Andriy, Rigden, Daniel J.

المساهمون: Biotechnology and Biological Sciences Research Council, National Institute of General Medical Sciences

المصدر: Proteins: Structure, Function, and Bioinformatics ; volume 89, issue 12, page 1852-1869 ; ISSN 0887-3585 1097-0134

الاتاحة: http://dx.doi.org/10.1002/prot.26185
https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26185
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/prot.26185

المؤلفون: Sánchez Rodríguez, Filomeno, Mesdaghi, Shahram, Simpkin, Adam J., Burgos-Mármol, J. Javier, Murphy, David L., Uski, Ville, Keegan, Ronan M., Rigden, Daniel J.

المساهمون: Valencia, Alfonso, Biotechnology and Biological Sciences Research Council

المصدر: Bioinformatics ; volume 37, issue 17, page 2763-2765 ; ISSN 1367-4803 1367-4811

مصطلحات موضوعية: Computational Mathematics, Computational Theory and Mathematics, Computer Science Applications, Molecular Biology, Biochemistry, Statistics and Probability

الاتاحة: http://dx.doi.org/10.1093/bioinformatics/btab049
http://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btab049/37768058/btab049.pdf
https://academic.oup.com/bioinformatics/article-pdf/37/17/2763/50339273/btab049.pdf

المؤلفون: University of Liverpool, Diamond Light Source (UK), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Simpkin, A. J., Caballero, Iracema, McNicholas, S., Stevenson, Kyle, Jiménez, Elisabet, Sánchez Rodríguez, Filomeno, Fando, M., Uski, V., Ballard, Charles B., Chojnowski, G., Lebedev, Andrey, Krissinel, E., Usón, Isabel, Rigden, D. J., Keegan, R. M.

مصطلحات الفهرس: CCP4, Predicted models, Molecular replacement, Macromolecular crystallography, Structure determination, artículo

URL: http://hdl.handle.net/10261/351629
https://doi.org/10.1107/S2059798323006289
Publisher's version
The underlying dataset has been published as supplementary material of the article in the publisher platform at 10.1107/S2059798323006289
https://doi.org/10.1107/S2059798323006289
Sí
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-128751NB-I00/ES/DESARROLLO DE METODOS ESTRUCTURALES (VII) Y SU APLICACION A CATALISIS AVANZADA
info:eu-repo/grantAgreement/AEI//PRE2019-087953

المؤلفون: Royal Society (UK), Engineering and Physical Sciences Research Council (UK), European Commission, Medical Research Council (UK), Federal Ministry of Education and Research (Germany), German Research Foundation, Institute of Geology of the Czech Academy of Sciences, Netherlands Organization for Scientific Research, Dutch Cancer Society, Wellcome Trust, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B., Basle, A., Beilsten-Edmands, James, Borges, Rafael J., Brown, D. G., Burgos-Mármol, J. Javier, Berrisford, J., Bond, Paul S., Caballero, Iracema, Catapano, Lucrezia, Chojnowski, G., Cook, Atlanta G., Cowtan, K., Croll, Tristan I., Debreczeny, Judith E., Devenish, Nicholas E., Dodson, Eleanor J., Drevon, Tarik R., Emsley, Paul, Evans, Gwyndaf, Evans, Phil R., Fando, M., Foadi, James, Fuentes-Montero, Luis, Garman, Elspeth F., Gerstel, Markus, Gildea, Richard J., Hatti, Kaushik, Hekkelman, Maarten L., Heuser, Philipp, Wen Hoh, Soon, Hough, Michael A., Jenkins, Huw T., Jiménez, Elisabet, Joosten, Robbie P., Keegan, R. M., Keep, Nicholas, Krissinel, E., Kolenko, Petr, Kovalevskiy, O., Lamzin, V., Lawson, David M., Lebedev, Andrey, Leslie, A. G. W., Lohkamp, B., Long, Fei, Maly, Martin, McCoy, Airlie J., McNicholas, S., Medina, Ana, Millán, Claudia, Murray, James W., Murshudov, Garib, Nicholls, R. A., Noble, Martin E. M., Oeffner, Robert D., Pannu, Navraj S., Parkhurst, James M., Pearce, Nicholas, Pereira, Joana, Perrakis, Anastassis, Powell, Harold R., Read, Randy J., Rigden, D. J., Rochira, William, Sammito, Massimo, Sánchez Rodríguez, Filomeno, Sheldrick, George M., Shelley, Kathryn L., Simkovic, Felix, Simpkin, A. J., Skubák, P., Sobolev, Egor, Steiner, Roberto A., Stevenson, Kyle, Tews, I., Thomas, J. M. H., Thorn, Andrea, Triviño, Josep, Uski, V., Usón, Isabel, Vagin, Alexei, Velankar, Sameer, Vollmar, Melanie, Walden, Helen, Waterman, David, Wilson, Keith S., Winn, Martyn D., Winter, Graeme, Wojdyr, M., Yamashita, Keitaro

مصطلحات الفهرس: Collaborative Computational Project No. 4, CCP4, Crystallography software, Macromolecular crystallography, artículo

URL: http://hdl.handle.net/10261/341647
Publisher's version
http://dx.doi.org/10.1107/S2059798323003595
Sí
info:eu-repo/grantAgreement/EC/H2020/871037
info:eu-repo/grantAgreement/AEI//PID2021-128751NB-I00

المؤلفون: Dialpuri, Jordan S., Bagdonas, Haroldas, Schofield, Lucy C., Pham, Phuong Thao, Holland, Lou, Bond, Paul S., Sánchez Rodríguez, Filomeno, McNicholas, Stuart J., Agirre, Jon

المصدر: Acta Crystallographica: Section F, Structural Biology Communications; Feb2024, Vol. 80 Issue 2, p30-35, 6p

مصطلحات موضوعية: WEB-based user interfaces, GLYCAN structure, CARBOHYDRATES, FREEWARE (Computer software), BANKING industry, GLYCANS

المؤلفون: Simpkin, Adam J., Caballero, Iracema, McNicholas, Stuart, Stevenson, Kyle, Jiménez, Elisabet, Sánchez Rodríguez, Filomeno, Fando, Maria, Uski, Ville, Ballard, Charles, Chojnowski, Grzegorz, Lebedev, Andrey, Krissinel, Eugene, Usón, Isabel, Rigden, Daniel J., Keegan, Ronan M.

المصدر: Acta Crystallographica: Section D, Structural Biology; Sep2023, Vol. 79 Issue 9, p806-819, 14p

مصطلحات موضوعية: X-ray crystallography, X-ray diffraction, PROBLEM solving, TEST scoring

الشركة/الكيان: GOOGLE Inc.

المؤلفون: Sánchez Rodríguez, Filomeno^1,2 (AUTHOR), Chojnowski, Grzegorz³ (AUTHOR), Keegan, Ronan M.⁴ (AUTHOR), Rigden, Daniel J.¹ (AUTHOR) drigden@liverpool.ac.uk

المصدر: Acta Crystallographica: Section D, Structural Biology. Dec2022, Vol. 78 Issue 12, p1412-1427. 16p.

مصطلحات موضوعية: *MODEL validation, *DEEP learning, *BANKING industry, *PROTEIN structure, *FORECASTING, *PROTEIN models

المؤلفون: Simpkin, Adam, Simpkin, Adam, Sánchez Rodríguez, Filomeno, Mesdaghi, Shahram, Kryshtafovych, Andriy, Rigden, Daniel

المصدر: Proteins: Structure, Function, and Bioinformatics; vol 89, iss 12

مصطلحات الفهرس: CASP, function prediction, refinement, structure prediction, Computational Biology, Models, Molecular, Protein Conformation, Proteins, Sequence Analysis, Protein, Software, article

URL: https://escholarship.org/uc/item/1hs7q9xt
https://escholarship.org/

المؤلفون: Mesdaghi, Shahram, Murphy, David L, Sánchez Rodríguez, Filomeno, Burgos-Mármol, J Javier, Rigden, Daniel J

Relation: Mesdaghi, Shahram, Murphy, David L, Sánchez Rodríguez, Filomeno orcid:0000-0002-6377-7269 , Burgos-Mármol, J Javier orcid:0000-0003-1861-2657 and Rigden, Daniel J orcid:0000-0002-7565-8937 (2020) In silico prediction of structure and function for a large family of transmembrane proteins that includes human Tmem41b. F1000Research, 9. 1395-.

الاتاحة: http://livrepository.liverpool.ac.uk/3114401/
https://doi.org/10.12688/f1000research.27676.2

المؤلفون: Sanchez Rodriguez, Filomeno, Simpkin, Adam J, Davies, Owen R, Keegan, Ronan M, Rigden, Daniel J

وصف الملف: text

Relation: http://livrepository.liverpool.ac.uk/3106042/1/Helical%20ensembles%20outperform%20ideal%20helices%20in%20molecular%20replacement.pdf; Sanchez Rodriguez, Filomeno, Simpkin, Adam J, Davies, Owen R, Keegan, Ronan M and Rigden, Daniel J orcid:0000-0002-7565-8937 (2020) Helical ensembles outperform ideal helices in molecular replacement. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 76 (Pt 10). pp. 962-970.

الاتاحة: http://livrepository.liverpool.ac.uk/3106042/
https://doi.org/10.1107/s205979832001133x
http://livrepository.liverpool.ac.uk/3106042/1/Helical%20ensembles%20outperform%20ideal%20helices%20in%20molecular%20replacement.pdf

المؤلفون: Moroz, Olga V., Blagova, Elena, Lebedev, Andrey A., Sánchez Rodríguez, Filomeno, Rigden, Daniel J., Tams, Jeppe Wegener, Wilting, Reinhard, Vester, Jan Kjølhede, Longhin, Elena, Hansen, Gustav Hammerich, Krogh, Kristian Bertel Rømer Mørkeberg, Pache, Roland A., Davies, Gideon J., Wilson, Keith S.

المصدر: Acta Crystallographica: Section D, Structural Biology; Dec2021, Vol. 77 Issue 12, p1564-1578, 15p

مصطلحات موضوعية: GALACTOSIDASES, BIFIDOBACTERIUM bifidum, BINDING sites, CATALYTIC domains, CELL adhesion, X-rays

المؤلفون: Smetana, Ondřej, Mäkilä, Riikka, Lyu, Munan, Amiryousefi, Ali, Sánchez Rodríguez, Filomeno, Wu, Miin-Feng, Solé-Gil, Anna, Leal Gavarrón, Marina, Siligato, Riccardo, Miyashima, Shunsuke, Roszak, Pawel, Blomster, Tiina, Reed, Jason W., Broholm, Suvi, Mähönen, Ari Pekka

المصدر: Nature ; volume 565, issue 7740, page 485-489 ; ISSN 0028-0836 1476-4687

الاتاحة: http://dx.doi.org/10.1038/s41586-018-0837-0
http://www.nature.com/articles/s41586-018-0837-0
http://www.nature.com/articles/s41586-018-0837-0.pdf

المؤلفون: Sanchez Rodriguez, Filomeno

المساهمون: Rigden, Daniel, Keegan, Ronan, Evans, Gwyndaf, Vollmar, Melanie

وصف الملف: text

Relation: http://livrepository.liverpool.ac.uk/3168083/1/201380090_Jan2023.pdf; Sanchez Rodriguez, Filomeno (2023) Novel computational approaches to the determination of protein structures using X-ray crystallography. PhD thesis, University of Liverpool.

الاتاحة: http://livrepository.liverpool.ac.uk/3168083/
http://livrepository.liverpool.ac.uk/3168083/1/201380090_Jan2023.pdf

المؤلفون: Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B., Baslé, Arnaud, Beilsten-Edmands, James, Borges, Rafael J., Brown, David G., Burgos-Mármol, J. Javier, Berrisford, John M., Bond, Paul S., Caballero, Iracema, Catapano, Lucrezia, Chojnowski, Grzegorz, Cook, Atlanta G., Cowtan, Kevin D., Croll, Tristan I., Debreczeni, Judit É., Devenish, Nicholas E., Dodson, Eleanor J., Drevon, Tarik R., Emsley, Paul, Evans, Gwyndaf, Evans, Phil R., Fando, Maria, Foadi, James, Fuentes-Montero, Luis, Garman, Elspeth F., Gerstel, Markus, Gildea, Richard J., Hatti, Kaushik, Hekkelman, Maarten L., Heuser, Philipp, Hoh, Soon Wen, Hough, Michael A., Jenkins, Huw T., Jiménez, Elisabet, Joosten, Robbie P., Keegan, Ronan M., Keep, Nicholas, Krissinel, Eugene B., Kolenko, Petr, Kovalevskiy, Oleg, Lamzin, Victor S., Lawson, David M., Lebedev, Andrey A., Leslie, Andrew G. W., Lohkamp, Bernhard, Long, Fei, Malý, Martin, McCoy, Airlie J., McNicholas, Stuart J., Medina, Ana, Millán, Claudia, Murray, James W., Murshudov, Garib N., Nicholls, Robert A., Noble, Martin E. M., Oeffner, Robert, Pannu, Navraj S., Parkhurst, James M., Pearce, Nicholas, Pereira, Joana, Perrakis, Anastassis, Powell, Harold R., Read, Randy J., Rigden, Daniel J., Rochira, William, Sammito, Massimo, Sánchez Rodríguez, Filomeno, Sheldrick, George M., Shelley, Kathryn L., Simkovic, Felix, Simpkin, Adam J., Skubak, Pavol, Sobolev, Egor, Steiner, Roberto A., Stevenson, Kyle, Tews, Ivo, Thomas, Jens M. H., Thorn, Andrea, Valls, Josep Triviño, Uski, Ville, Usón, Isabel, Vagin, Alexei, Velankar, Sameer, Vollmar, Melanie, Walden, Helen, Waterman, David, Wilson, Keith S., Winn, Martyn D., Winter, Graeme, Wojdyr, Marcin, Yamashita, Keitaro

المصدر: Acta Crystallographica Section D Structural Biology. 79(6):449-461

URL الوصول: https://explore.openaire.eu/search/publication?articleId=sygma_______::bc5e8e820b746a78cf00c7e3542d810d