Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Ludovico Sutto"'
Autor:
Tom D. Bunney, Shunzhou Wan, Nethaji Thiyagarajan, Ludovico Sutto, Sarah V. Williams, Paul Ashford, Hans Koss, Margaret A. Knowles, Francesco L. Gervasio, Peter V. Coveney, Matilda Katan
Publikováno v:
EBioMedicine, Vol 2, Iss 3, Pp 194-204 (2015)
Fibroblast growth factor receptors (FGFRs) are recognized therapeutic targets in cancer. We here describe insights underpinning the impact of mutations on FGFR1 and FGFR3 kinase activity and drug efficacy, using a combination of computational calcula
Externí odkaz:
https://doaj.org/article/e7769dd69808422f83cb4585092a329f
Autor:
Antonija Kuzmanic, Ludovico Sutto, Giorgio Saladino, Angel R Nebreda, Francesco L Gervasio, Modesto Orozco
Publikováno v:
eLife, Vol 6 (2017)
p38α is a Ser/Thr protein kinase involved in a variety of cellular processes and pathological conditions, which makes it a promising pharmacological target. Although the activity of the enzyme is highly regulated, its molecular mechanism of activati
Externí odkaz:
https://doaj.org/article/c79167d437ac42e5abc1ec4d6f61c530
Autor:
Nicole Dölker, Maria W Górna, Ludovico Sutto, Antonio S Torralba, Giulio Superti-Furga, Francesco L Gervasio
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 10, p e1003863 (2014)
Regulation of the c-Abl (ABL1) tyrosine kinase is important because of its role in cellular signaling, and its relevance in the leukemiogenic counterpart (BCR-ABL). Both auto-inhibition and full activation of c-Abl are regulated by the interaction of
Externí odkaz:
https://doaj.org/article/70490370a7bd4113b7a2ca9f1d6a10ff
Publikováno v:
Proceedings of the National Academy of Sciences. 110:10616-10621
Activating mutations in the epidermal growth factor receptor (EGFR) tyrosine kinase are frequently found in many cancers. It has been suggested that changes in the equilibrium between its active and inactive conformations are linked to its oncogenic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dffe4d6b4c3bf9ad73bf9a83a2c31871
https://doi.org/10.1073/pnas.1221953110
https://doi.org/10.1073/pnas.1221953110
Autor:
Encarna Pucheta-Martínez, Giorgio Saladino, Maria Agnese Morando, Jorge Martinez-Torrecuadrada, Moreno Lelli, Ludovico Sutto, Nicola D’Amelio, Francesco Luigi Gervasio
Publikováno v:
Repisalud
Instituto de Salud Carlos III (ISCIII)
Scientific Reports
Instituto de Salud Carlos III (ISCIII)
Scientific Reports
Phosphorylation of the activation loop is a fundamental step in the activation of most protein kinases. In the case of the Src tyrosine kinase, a prototypical kinase due to its role in cancer and its historic importance, phosphorylation of tyrosine 4
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::30c3d8f5b0ea24e932d47c091ba311a4
https://hdl.handle.net/20.500.12105/8555
https://hdl.handle.net/20.500.12105/8555
Publikováno v:
Wiley Interdisciplinary Reviews: Computational Molecular Science. 2:771-779
Metadynamics is an algorithm for accelerating rare events and reconstructing the associated free energy surface. It works by biasing the evolution of the system by a history-dependent potential that is adaptively constructed in the space of a suitabl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7292a516ffe426538d6cffc4a63cabbc
https://doi.org/10.1002/wcms.1103
https://doi.org/10.1002/wcms.1103
Publikováno v:
Journal of Chemical Theory and Computation. 6:3640-3646
All-atom unbiased molecular dynamics simulations are now able to explore the microsecond to millisecond time scale for simple biological macromolecules in an explicit solvent. This allows for a careful comparison of the efficiency and accuracy of enh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03154be3977d2abeab999db0979f0861
https://doi.org/10.1021/ct100413b
https://doi.org/10.1021/ct100413b
Publikováno v:
Journal of chemical theory and computation. 7(12)
Structure-based models are successful at conjugating the essence of the energy landscape theory of protein folding with an easy and efficient implementation. Recently, their realm expanded beyond a single protein structure, and structure-based potent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd28b5b5515f5618ebf470de774ee323
https://pubmed.ncbi.nlm.nih.gov/26598361
https://pubmed.ncbi.nlm.nih.gov/26598361
Publikováno v:
Journal of chemical theory and computation. 10(9)
Proteins are dynamic molecules and their ability to adopt alternative conformations is central to their biological function. The structural and biophysical properties of transiently and sparsely populated states are, however, difficult to study and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0668b5e05f58451526e47c6b6d1e796d
https://pubmed.ncbi.nlm.nih.gov/26588555
https://pubmed.ncbi.nlm.nih.gov/26588555
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America. 112(44)
The analysis of evolutionary amino acid correlations has recently attracted a surge of renewed interest, also due to their successful use in de novo protein native structure prediction. However, many aspects of protein function, such as substrate bin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::649df170f1d52189a2d64ac51cb45b76
https://pubmed.ncbi.nlm.nih.gov/26487681
https://pubmed.ncbi.nlm.nih.gov/26487681