Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Francesco Colizzi"'
Autor:
Lorena González, Lucía Díaz, Joan Pous, Blazej Baginski, Anna Duran-Corbera, Margherita Scarpa, Isabelle Brun-Heath, Ana Igea, Pau Martin-Malpartida, Lidia Ruiz, Chiara Pallara, Mauricio Esguerra, Francesco Colizzi, Cristina Mayor-Ruiz, Ricardo M. Biondi, Robert Soliva, Maria J. Macias, Modesto Orozco, Angel R. Nebreda
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-16 (2023)
Abstract p38α is a versatile protein kinase that can control numerous processes and plays important roles in the cellular responses to stress. Dysregulation of p38α signaling has been linked to several diseases including inflammation, immune disord
Externí odkaz:
https://doaj.org/article/875e0b5f72914dd0a22c1161dc475f7f
Autor:
Patricia Falkenstein, Ziyue Zhao, Ania Di Pede-Mattatelli, Georg Künze, Michael Sommer, Christian Sonnendecker, Wolfgang Zimmermann, Francesco Colizzi, Jörg Matysik, Chen Song
Publikováno v:
ACS Catalysis. 13:6919-6933
15 pages, 8 figures, supporting information https://doi.org/10.1021/acscatal.3c00259
Enzymatic degradation of polyethylene terephthlate (PET) by polyester hydrolases is currently subject to intensive research, as it is considered as a potential
Enzymatic degradation of polyethylene terephthlate (PET) by polyester hydrolases is currently subject to intensive research, as it is considered as a potential
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3997f9f5c913344d3976c96932531ce9
https://doi.org/10.1021/acscatal.3c00259
https://doi.org/10.1021/acscatal.3c00259
Autor:
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
Publikováno v:
Journal of the American Chemical Society. 145:3696-3705
10 pages, 5 figures, 1 table, supporting Information https://pubs.acs.org/doi/10.1021/jacs.2c13043
We study here a DNA oligonucleotide having the ability to form two different i-motif structures whose relative stability depends on pH and tempera
We study here a DNA oligonucleotide having the ability to form two different i-motif structures whose relative stability depends on pH and tempera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f890eae7c688852c01e63ec9000698d5
https://doi.org/10.1021/jacs.2c13043
https://doi.org/10.1021/jacs.2c13043
Autor:
Siri C. van Keulen, Juliette Martin, Francesco Colizzi, Elisa Frezza, Daniel Trpevski, Nuria Cirauqui Diaz, Pietro Vidossich, Ursula Rothlisberger, Jeanette Hellgren Kotaleski, Rebecca C. Wade, Paolo Carloni
Publikováno v:
WIREs Computational Molecular Science. 13
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4614d598763715813728e7940943f1b
https://doi.org/10.1002/wcms.1657
https://doi.org/10.1002/wcms.1657
Autor:
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
Mutations in the kinase domain of the Epidermal Growth Factor Receptor (EGFR) can be drivers of cancer and also trigger drug resistance in patients under chemotherapy treatment based on kinase inhibitors use. A priori knowledge of the impact of EGFR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::175f285173519ec1f63ef57c4582451e
https://doi.org/10.1101/2022.04.25.489389
https://doi.org/10.1101/2022.04.25.489389
Autor:
Sanja Zivanovic, Francesco Colizzi, David Moreno, Adam Hospital, Robert Soliva, Modesto Orozco
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Journal of Chemical Theory and Computation
Universidad de Barcelona
Journal of Chemical Theory and Computation
By using a combination of classical Hamiltonian replica exchange with high-level quantum mechanical calculations on more than one hundred drug-like molecules, we explored here the energy cost associated with binding of drug-like molecules to target m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15e246ca447fa3b1470525ec643b970c
https://doi.org/10.1021/acs.jctc.0c00304
https://doi.org/10.1021/acs.jctc.0c00304
Autor:
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
14 pages, 6 figures, 1 table, supporting information https://pubs.acs.org/doi/10.1021/acs.jcim.2c01344.-- The code for this work is available at https://github.com/bioexcel/biobb_hpc_workflows/tree/condapack. MD simulations are available from our MDp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ac9fde04c21be9e4c703907677b4022
https://hdl.handle.net/2117/383723
https://hdl.handle.net/2117/383723
Autor:
Modesto Orozco, Francesco Colizzi
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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7 pages, 4 figures, supplementary materials https://doi.org//10.1126/sciadv.abj0786
Protein-mediated allosteric regulations are essential in biology, but their quantitative characterization continues to posit formidable challenges for both exper
Protein-mediated allosteric regulations are essential in biology, but their quantitative characterization continues to posit formidable challenges for both exper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6054182d901b9280dd77a92fb28c6caa
https://pubmed.ncbi.nlm.nih.gov/34516882
https://pubmed.ncbi.nlm.nih.gov/34516882
Autor:
Yaakov Levy, Francesco Colizzi, Remi Fritzen, Cibran Perez-Gonzalez, Malcolm F. White, Giovanni Bussi, J. Carlos Penedo
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America
Significance Six decades after DNA structure was first revealed, fundamental questions remain open. How is the entwined embrace of double-stranded nucleic acids formed or disrupted? How does the energetics underlying this process influence nucleic-ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b95c15f9f55507165f3f63c2da7a9f3
http://europepmc.org/articles/PMC6842596
http://europepmc.org/articles/PMC6842596
Autor:
David Moreno, Sanja Zivanovic, Francesco Colizzi, Adam Hospital, Juan Aranda, Robert Soliva, Modesto Orozco
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Journal of Chemical Theory and Computation
Universidad de Barcelona
Journal of Chemical Theory and Computation
We present drug force-field recalibration (DFFR), a new method for refining of automatic force-fields used to represent small drugs in docking and molecular dynamics simulations. The method is based on fine-tuning of torsional terms to obtain ensembl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80c9f4d5464ff1e1cd3184622739f0ac
http://hdl.handle.net/2445/179168
http://hdl.handle.net/2445/179168