Zobrazeno 1 - 10
of 64
pro vyhledávání: '"Jaime Rubio-Martinez"'
Autor:
Maria Nuria Peralta-Moreno, Yago Mena, David Ortega-Alarcon, Ana Jimenez-Alesanco, Sonia Vega, Olga Abian, Adrian Velazquez-Campoy, Timothy M. Thomson, Marta Pinto, José M. Granadino-Roldán, Maria Santos Tomas, Juan J. Perez, Jaime Rubio-Martinez
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 11, p 6119 (2024)
The development of specific antiviral therapies targeting SARS-CoV-2 remains fundamental because of the continued high incidence of COVID-19 and limited accessibility to antivirals in some countries. In this context, dark chemical matter (DCM), a set
Externí odkaz:
https://doaj.org/article/112df38d75b74c1394a53416a4e0597f
Autor:
Maria Nuria Peralta-Moreno, Vanessa Anton-Muñoz, David Ortega-Alarcon, Ana Jimenez-Alesanco, Sonia Vega, Olga Abian, Adrian Velazquez-Campoy, Timothy M. Thomson, José Manuel Granadino-Roldán, Claudia Machicado, Jaime Rubio-Martinez
Publikováno v:
Pharmaceuticals, Vol 16, Iss 4, p 585 (2023)
Over 750 million cases of COVID-19, caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), have been reported since the onset of the global outbreak. The need for effective treatments has spurred intensive research for therapeuti
Externí odkaz:
https://doaj.org/article/1390327187704505aca265db9fd93a30
Publikováno v:
Polymers, Vol 13, Iss 19, p 3311 (2021)
An accurate description of the protonation state of amino acids is essential to correctly simulate the conformational space and the mechanisms of action of proteins or other biochemical systems. The pH and the electrochemical environments are decisiv
Externí odkaz:
https://doaj.org/article/ce128afdd805437895f2c112a2b653e5
Autor:
José M Granadino-Roldán, Antonia S J S Mey, Juan J Pérez González, Stefano Bosisio, Jaime Rubio-Martinez, Julien Michel
Publikováno v:
PLoS ONE, Vol 14, Iss 3, p e0213217 (2019)
Hit-to-lead virtual screening frequently relies on a cascade of computational methods that starts with rapid calculations applied to a large number of compounds and ends with more expensive computations restricted to a subset of compounds that passed
Externí odkaz:
https://doaj.org/article/217fcda8e93e43629c6a1c6fac7e330c
Publikováno v:
PLoS Computational Biology, Vol 14, Iss 10, p e1006552 (2018)
K-Ras, one of the most common small GTPases of the cell, still presents many riddles, despite the intense efforts to unveil its mysteries. Such is the case of its interaction with Calmodulin, a small acidic protein known for its role as a calcium ion
Externí odkaz:
https://doaj.org/article/bac767f675814a54b3e844e753c2454f
Publikováno v:
PLoS ONE, Vol 7, Iss 3, p e32276 (2012)
Transketolase is an enzyme involved in a critical step of the non-oxidative branch of the pentose phosphate pathway whose inhibition could lead to new anticancer drugs. Here, we report new human transketolase inhibitors, based on the phenyl urea scaf
Externí odkaz:
https://doaj.org/article/d458edd476664dbca8afdd9aa8834aa5
Publikováno v:
Journal of Chemical Information and Modeling.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cf7fa614896dd2c07d2726e05135c2c
https://doi.org/10.1021/acs.jcim.3c00397
https://doi.org/10.1021/acs.jcim.3c00397
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Universidad de Barcelona
For the discovery of treatments against synucleinopathies, it is necessary to unravel and fully understand the mechanism of fibrillation of proteins involved. Among them, a-synuclein (aS) plays a key role in the development of these diseases through
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9c14c0ec258c77d52dcd9f92431aa8b
https://pubmed.ncbi.nlm.nih.gov/35912724
https://pubmed.ncbi.nlm.nih.gov/35912724
Publikováno v:
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Dipòsit Digital de la UB
Universidad de Barcelona
Universitat Politècnica de Catalunya (UPC)
Dipòsit Digital de la UB
Universidad de Barcelona
Apoptosis is a key cell death pathway in mammalian cells. Understanding this process and its regulation has been a subject of study in the last three decades. Members of the Bcl-2 family of proteins are involved in the regulation of apoptosis through
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d099fcc6e3d33a0687b555b1740fc29
https://doi.org/10.1021/acs.jcim.9b01047
https://doi.org/10.1021/acs.jcim.9b01047
Publikováno v:
Polymers
Volume 13
Issue 19
Dipòsit Digital de la UB
Universidad de Barcelona
Polymers, Vol 13, Iss 3311, p 3311 (2021)
Volume 13
Issue 19
Dipòsit Digital de la UB
Universidad de Barcelona
Polymers, Vol 13, Iss 3311, p 3311 (2021)
An accurate description of the protonation state of amino acids is essential to correctly simulate the conformational space and the mechanisms of action of proteins or other biochemical systems. The pH and the electrochemical environments are decisiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cd0aa5569e9e28dc0e1542d271adfdb