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Exploring Multi-Subsite Binding Pockets in Proteins: DEEP-STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B.
Monaco, Serena; Walpole, Samuel; Doukani, Hassan; Nepravishta, Ridvan; Martínez-Bailén, Macarena; Carmona, Ana T; Ramos-Soriano, Javier; Bergström, Maria; Robina, Inmaculada; Angulo, Jesus.
Affiliation
  • Monaco S; School of Pharmacy, University of East Anglia, Norwich Research Park, NR4 7TJ, Norwich, UK.
  • Walpole S; School of Pharmacy, University of East Anglia, Norwich Research Park, NR4 7TJ, Norwich, UK.
  • Doukani H; School of Pharmacy, University of East Anglia, Norwich Research Park, NR4 7TJ, Norwich, UK.
  • Nepravishta R; School of Pharmacy, University of East Anglia, Norwich Research Park, NR4 7TJ, Norwich, UK.
  • Martínez-Bailén M; Department of Biochemistry & Molecular Biology, Sealy Center for Structural Biology & Molecular Biophysics, University of Texas Medical Branch, 301 University Blvd, Galveston, TX, 77555-1068, USA.
  • Carmona AT; Department of Organic Chemistry, Faculty of Chemistry, University of Seville, 41012, Seville, Spain.
  • Ramos-Soriano J; Department of Organic Chemistry, Faculty of Chemistry, University of Seville, 41012, Seville, Spain.
  • Bergström M; Department of Organic Chemistry, Faculty of Chemistry, University of Seville, 41012, Seville, Spain.
  • Robina I; Department of Chemistry and Biomedical Sciences, Linnaeus University, 391 82, Kalmar, Sweden.
  • Angulo J; Department of Organic Chemistry, Faculty of Chemistry, University of Seville, 41012, Seville, Spain.
Chemistry ; 26(44): 10024-10034, 2020 Aug 06.
Article de En | MEDLINE | ID: mdl-32449563
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Spectroscopie par résonance magnétique / Toxine cholérique / Simulation de dynamique moléculaire / Ganglioside GM1 Langue: En Journal: Chemistry Sujet du journal: QUIMICA Année: 2020 Type de document: Article Pays d'affiliation: Royaume-Uni Pays de publication: Allemagne
Texte intégral
Ajouter à My VHL
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XML
PubMed Links
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Spectroscopie par résonance magnétique / Toxine cholérique / Simulation de dynamique moléculaire / Ganglioside GM1 Langue: En Journal: Chemistry Sujet du journal: QUIMICA Année: 2020 Type de document: Article Pays d'affiliation: Royaume-Uni Pays de publication: Allemagne