يعرض 1 - 10 نتائج من 64 نتيجة بحث عن '"Jaime Rubio-Martinez"', وقت الاستعلام: 0.85s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 Mpro Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation

    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

    Find this article in full text from ProQuest Full Text Finder
    أضف إلى المفضلة
  2. 2
    دورية أكاديمية
    Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 Mpro Main Protease Inhibitors

    المؤلفون: 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

    المصدر: Pharmaceuticals, Vol 16, Iss 4, p 585 (2023)

    مصطلحات موضوعية: SARS-CoV-2 main protease, Peruvian natural plants, docking, molecular dynamics, MM-PB/GBSA approach, drug design, Medicine, Pharmacy and materia medica, RS1-441

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1424-8247/16/4/585; https://doaj.org/toc/1424-8247

    URL الوصول: https://doaj.org/article/1390327187704505aca265db9fd93a30

    Find this article in full text from ProQuest Full Text Finder
    أضف إلى المفضلة
  3. 3
    دورية أكاديمية
    Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model

    المؤلفون: Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martinez

    المصدر: Polymers, Vol 13, Iss 19, p 3311 (2021)

    مصطلحات موضوعية: constant pH Molecular Dynamics, AMBER, capped tripeptides, oligopeptides, Ramachandran maps, Organic chemistry, QD241-441

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/2073-4360/13/19/3311; https://doaj.org/toc/2073-4360

    URL الوصول: https://doaj.org/article/ce128afdd805437895f2c112a2b653e5

    Find this article in full text from ProQuest Full Text Finder
    أضف إلى المفضلة
  4. 4
    دورية أكاديمية
    Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors.

    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

    Find this article in full text from ProQuest Full Text Finder
    أضف إلى المفضلة
  5. 5
    دورية أكاديمية
    Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.

    المؤلفون: Cristian Obiol-Pardo, Gema Alcarraz-Vizán, Marta Cascante, Jaime Rubio-Martinez

    المصدر: PLoS ONE, Vol 7, Iss 3, p e32276 (2012)

    مصطلحات موضوعية: Medicine, Science

    وصف الملف: electronic resource

    Relation: https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/22403640/pdf/?tool=EBI; https://doaj.org/toc/1932-6203

    URL الوصول: https://doaj.org/article/d458edd476664dbca8afdd9aa8834aa5

    Find this article in full text from ProQuest Full Text Finder
    أضف إلى المفضلة
  6. 6
    A Step Forward toward Selective Activation/Inhibition of Bak, a Pro-Apoptotic Member of the Bcl-2 Protein Family: Discovery of New Prospective Allosteric Sites Using Molecular Dynamics

    المؤلفون: Guillem Vila-Julià, Juan J. Perez, Jaime Rubio-Martinez

    المصدر: Journal of Chemical Information and Modeling.

    مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9cf7fa614896dd2c07d2726e05135c2c
    https://doi.org/10.1021/acs.jcim.3c00397

    Find this issue from the American Chemical Society
    أضف إلى المفضلة
  7. 7
    Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation

    المؤلفون: Jaime Rubio Martinez, Francesc Mas, Sergio Madurga, Cristian Privat

    المصدر: Dipòsit Digital de la UB
    Universidad de Barcelona

    مصطلحات موضوعية: Oligòmers, Protein Conformation, General Physics and Astronomy, Alfa-sinucleïna, Molecular dynamics, Molecular Dynamics Simulation, Alpha-synuclein, Intrinsically Disordered Proteins, Oligomers, alpha-Synuclein, Protein Conformation, beta-Strand, Dinàmica molecular, Physical and Theoretical Chemistry, Inosine Diphosphate

    وصف الملف: application/pdf

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9c14c0ec258c77d52dcd9f92431aa8b
    https://pubmed.ncbi.nlm.nih.gov/35912724

    أضف إلى المفضلة
  8. 8
    Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides

    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

    Find this issue from the American Chemical Society
    أضف إلى المفضلة
  9. 9
    Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model

    المؤلفون: Sergio Madurga, Cristian Privat, Francesc Mas, Jaime Rubio-Martinez

    المصدر: Polymers
    Volume 13
    Issue 19
    Dipòsit Digital de la UB
    Universidad de Barcelona
    Polymers, Vol 13, Iss 3311, p 3311 (2021)

    مصطلحات موضوعية: chemistry.chemical_classification, Oligopeptide, Polymers and Plastics, Chemistry, Solvation, Solvation model, Organic chemistry, Protonation, General Chemistry, Tripeptide, Molecular dynamics, Article, Amino acid, QD241-441, Computational chemistry, constant pH Molecular Dynamics, Ramachandran maps, Pèptids, Dinàmica molecular, capped tripeptides, Constant (mathematics), Peptides, AMBER, oligopeptides

    وصف الملف: application/pdf

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cd0aa5569e9e28dc0e1542d271adfdb

    Find this article in full text from ProQuest
    أضف إلى المفضلة
  10. 10
    Toward understanding calmodulin plasticity by molecular dynamics

    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

    PDF full text from Publisher Find this article in full text from ProQuest
    أضف إلى المفضلة
أدوات البحث: أحصل على تغذية RSS – أرسل هذا البحث بالبريد الإلكتروني – حفظ البحث – جدول التنبيهات: لا شيء