المؤلفون: 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

المصدر: International Journal of Molecular Sciences, Vol 25, Iss 11, p 6119 (2024)

مصطلحات موضوعية: SARS-CoV-2 main protease, dark chemical matter, docking, molecular dynamics, MMPB/GBSA approach, drug design, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1422-0067/25/11/6119; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067

URL الوصول: https://doaj.org/article/112df38d75b74c1394a53416a4e0597f

المؤلفون: José M Granadino-Roldán, Antonia S J S Mey, Juan J Pérez González, Stefano Bosisio, Jaime Rubio-Martinez, Julien Michel

المصدر: PLoS ONE, Vol 14, Iss 3, p e0213217 (2019)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1932-6203

URL الوصول: https://doaj.org/article/217fcda8e93e43629c6a1c6fac7e330c

المؤلفون: Jaime Rubio-Martinez, Juan J. Perez, José M. Granadino-Roldán, Guillem Vila-Julià

المساهمون: Universitat Politècnica de Catalunya. Departament d'Enginyeria Química, Universitat Politècnica de Catalunya. GBMI - Grup de Biotecnologia Molecular i Industrial

المصدر: UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Dipòsit Digital de la UB
Universidad de Barcelona

مصطلحات موضوعية: Programmed cell death, General Chemical Engineering, Apoptosis, Bak Protein, Molecular dynamics, Library and Information Sciences, Biology, 01 natural sciences, Enginyeria química [Àrees temàtiques de la UPC], Proto-Oncogene Proteins, 0103 physical sciences, Animals, Dinàmica molecular, 010304 chemical physics, Cancer--Treatment, Apoptosi, General Chemistry, Peptide Fragments, 0104 chemical sciences, Computer Science Applications, Cell biology, 010404 medicinal & biomolecular chemistry, bcl-2 Homologous Antagonist-Killer Protein, Càncer -- Tractament, Pèptids, biological phenomena, cell phenomena, and immunity, Apoptosis Regulatory Proteins, Peptides

وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document; application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d099fcc6e3d33a0687b555b1740fc29
https://doi.org/10.1021/acs.jcim.9b01047

المؤلفون: Jesús Fernández-Sainz, Pedro J. Pacheco-Liñán, José M. Granadino-Roldán, Iván Bravo, Jaime Rubio-Martínez, José Albaladejo, Andrés Garzón-Ruiz

المصدر: Dipòsit Digital de la UB
Universidad de Barcelona

مصطلحات موضوعية: Radiation, Radiological and Ultrasound Technology, Pteridines, Biophysics, Cell Cycle Proteins, Protein Serine-Threonine Kinases, Models moleculars, Proteïnes quinases, Adenosine Triphosphate, Protein kinases, Proto-Oncogene Proteins, Espectroscòpia de fluorescència, Molecular models, Radiology, Nuclear Medicine and imaging, Fluorescence spectroscopy, Protein Kinase Inhibitors

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1310ec8b1112c892714ecab1c61e8940
https://doi.org/10.1016/j.jphotobiol.2022.112477

المؤلفون: José M. Granadino-Roldán, Neus Agell, Jaime Rubio-Martinez, Eduardo Garrido, Montserrat Jaumot

المصدر: Dipòsit Digital de la UB
Universidad de Barcelona

مصطلحات موضوعية: Pharmacology, Principal Component Analysis, Calmodulin, biology, Protein Conformation, Chemistry, Molecular dynamics, Molecular Dynamics Simulation, Plasticity, Drug Discovery, Calmodulina, Biophysics, biology.protein, Cluster Analysis, Humans, Thermodynamics, Molecular Medicine, Dinàmica molecular, Linker

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce9dc04af359b39dd89294c93963a6b6
https://doi.org/10.4155/fmc-2018-0323

المؤلفون: Attilio Golemme, José M. Granadino-Roldán, Roberto Termine, Amparo Navarro, Raquel Giménez, Beatriz Feringán, Teresa Sierra

المساهمون: CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI), Consejo Superior de Investigaciones Científicas (España), Ministerio de Ciencia, Innovación y Universidades (España), Gobierno de Aragón, European Commission, Agencia Estatal de Investigación (España), Junta de Andalucía, Universidad de Jaén

المصدر: Zaguán: Repositorio Digital de la Universidad de Zaragoza
Universidad de Zaragoza
Zaguán. Repositorio Digital de la Universidad de Zaragoza
instname
Digital.CSIC. Repositorio Institucional del CSIC

مصطلحات موضوعية: Electron mobility, Materials science, Mesogen, Supramolecular chemistry, Mesophase, General Chemistry, Triphenylamine, chemistry.chemical_compound, Crystallography, chemistry, Liquid crystal, Phase (matter), Materials Chemistry, Triazine

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52404ee5a1b8cba10806afd1b6e031f6
http://zaguan.unizar.es/record/102122

المؤلفون: Jaime Rubio-Martinez, Cristian Privat, José M. Granadino-Roldán, Juan J. Perez, Jordi Bonet, M. S. Tomás

المساهمون: Universitat Politècnica de Catalunya. Departament de Tecnologia de l'Arquitectura, Universitat Politècnica de Catalunya. Departament d'Enginyeria Química, Universitat Politècnica de Catalunya. GBMI - Grup de Biotecnologia Molecular i Industrial

المصدر: Dipòsit Digital de la UB
Universidad de Barcelona
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)

مصطلحات موضوعية: Computer science, General Physics and Astronomy, Molecular Dynamics Simulation, Molecular dynamics, Ligands, 01 natural sciences, Drug design, Set (abstract data type), Fragment (logic), Ascomycota, 0103 physical sciences, Drug Discovery, Humans, Point (geometry), Denaturation (biochemistry), Dinàmica molecular, Physical and Theoretical Chemistry, Disseny de medicaments, Binding Sites, 010304 chemical physics, Física [Àrees temàtiques de la UPC], 010405 organic chemistry, Drug discovery, Proteins, 0104 chemical sciences, Term (time), Test case, Pharmaceutical Preparations, Biological system, Protein Binding

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ca8d77b95e11bea3947c0006bd164ea
http://hdl.handle.net/2445/188360

المؤلفون: Santos Blanco, Ana Cañuelo, Jesús Calahorra, Eva Siles, Esther Martínez-Lara, José M. Granadino-Roldán, F. Javier Oliver, Juan Manuel Martí

المساهمون: Universidad de Jaén, Ministerio de Economía y Competitividad (España), Junta de Andalucía, European Commission

المصدر: Scientific Reports
Digital.CSIC. Repositorio Institucional del CSIC
instname
Scientific Reports, Vol 10, Iss 1, Pp 1-15 (2020)

مصطلحات موضوعية: 0301 basic medicine, lcsh:Medicine, Breast Neoplasms, Article, 03 medical and health sciences, chemistry.chemical_compound, Phosphatidylinositol 3-Kinases, 0302 clinical medicine, Breast cancer, medicine, Humans, lcsh:Science, Protein kinase B, Olive Oil, PI3K/AKT/mTOR pathway, Multidisciplinary, biology, Phenol, Chemistry, TOR Serine-Threonine Kinases, lcsh:R, Phenylethyl Alcohol, Aryl hydrocarbon receptor, medicine.disease, Hypoxia-Inducible Factor 1, alpha Subunit, Adrenomedullin, Vascular endothelial growth factor, Gene Expression Regulation, Neoplastic, 030104 developmental biology, MCF-7, 030220 oncology & carcinogenesis, biology.protein, Cancer research, MCF-7 Cells, Hydroxytyrosol, lcsh:Q, Female, Proto-Oncogene Proteins c-akt, Signal Transduction

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::173bf87a376deb5dc5f2986f1d2d15eb
http://europepmc.org/articles/PMC7156391

المؤلفون: Mónica Moral, Tomás Peña-Ruiz, M. Paz Fernández-Liencres, Ana Valenzuela-Pereira, Andrés Garzón-Ruiz, Amparo Navarro, José M. Granadino-Roldán

المصدر: The Journal of Physical Chemistry C. 122:12002-12014

مصطلحات موضوعية: Materials science, Stacking, 02 engineering and technology, Electroluminescence, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Chemical physics, Normal mode, Excited state, Phase (matter), Molecule, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Excitation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d61b97c1cf6687c6d048a0a9e52f5c56
https://doi.org/10.1021/acs.jpcc.8b02625

المؤلفون: José M, Granadino-Roldán, Antonia S J S, Mey, Juan J, Pérez González, Stefano, Bosisio, Jaime, Rubio-Martinez, Julien, Michel

المصدر: PLoS ONE

مصطلحات موضوعية: Protein Structure, Linear Regression Analysis, Ligands, Research and Analysis Methods, Molecular Dynamics, Biochemistry, Physical Chemistry, Binding Analysis, Mathematical and Statistical Techniques, Computational Chemistry, Macromolecular Structure Analysis, Biochemical Simulations, Humans, Statistical Methods, Protein Kinase Inhibitors, Molecular Biology, Free Energy, Chemical Characterization, Binding Sites, Chemical Bonding, Physics, Statistics, Biology and Life Sciences, Proteins, Computational Biology, Hydrogen Bonding, Protein-Tyrosine Kinases, Protein Structure, Tertiary, Molecular Docking Simulation, Chemistry, Drug Design, Physical Sciences, Thermodynamics, Regression Analysis, Mathematics, Research Article

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::94274eeb96583c08cddf718c9b15a6f4
https://pubmed.ncbi.nlm.nih.gov/30861030