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Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics.
Bufano, Marianna; Laudette, Marion; Blondeau, Jean-Paul; Lezoualc'h, Frank; Nalli, Marianna; Silvestri, Romano; Brancale, Andrea; Coluccia, Antonio.
Affiliation
  • Bufano M; Department of Drug Chemistry and Technologies, Istituto Pasteur Italia - Fondazione Cenci Bolognetti, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
  • Laudette M; Institut des Maladies Métaboliques et Cardiovasculaires, INSERM UMR-1048, Cedex 04, 31432, Toulouse, France.
  • Blondeau JP; Université de Toulouse - Paul Sabatier, Cedex 04, 31432, Toulouse, France.
  • Lezoualc'h F; Faculté de Pharmacie, Université Paris-Sud, Châtenay-Malabry Cedex, 92296, Paris, France.
  • Nalli M; Institut des Maladies Métaboliques et Cardiovasculaires, INSERM UMR-1048, Cedex 04, 31432, Toulouse, France.
  • Silvestri R; Université de Toulouse - Paul Sabatier, Cedex 04, 31432, Toulouse, France.
  • Brancale A; Department of Drug Chemistry and Technologies, Istituto Pasteur Italia - Fondazione Cenci Bolognetti, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
  • Coluccia A; Department of Drug Chemistry and Technologies, Istituto Pasteur Italia - Fondazione Cenci Bolognetti, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
J Comput Aided Mol Des ; 34(11): 1171-1179, 2020 11.
Article in En | MEDLINE | ID: mdl-32700175
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Full text: 1 Database: MEDLINE Main subject: Solvents / Guanine Nucleotide Exchange Factors Type of study: Prognostic_studies Language: En Year: 2020 Type: Article
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Full text: 1 Database: MEDLINE Main subject: Solvents / Guanine Nucleotide Exchange Factors Type of study: Prognostic_studies Language: En Year: 2020 Type: Article