Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Ponder, J W"'
Autor:
Khoury, L. El, Jing, Z., Cuzzolin, A., Deplano, A., Loco, D., Sattarov, B., Hédin, F., Wendeborn, S., Ho, C., Ahdab, D. El, Inizan, T. Jaffrelot, Sturlese, M., Sosic, A., Volpiana, M., Lugato, A., Barone, M., Gatto, B., Macchia, M. Ludovica, Bellanda, M., Battistutta, R., Salata, C., Kondratov, I., Iminov, R., Khairulin, A., Mykhalonok, Y., Pochepko, A., Chashka-Ratushnyi, V., Kos, I., Moro, S., Montes, M., Ren, P., Ponder, J. W., Lagardère, L., Piquemal, J. -P., Sabbadin, D.
Publikováno v:
Chem. Sci., 2022,13, 3674-3687
We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M$^{pro}$) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$\mu$M for the final covalent compound (IC50=830 +/- 50 nM). The project
Externí odkaz:
http://arxiv.org/abs/2110.05427
Publikováno v:
The Journal of Physical Chemistry - Part B; November 26, 1998, Vol. 102 Issue: 48 p9725-9742, 18p
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America; May 1995, Vol. 92 Issue: 11 p5149-5153, 5p
Autor:
Huang ES; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, Saint Louis, MO, 63110, USA., Samudrala R, Ponder JW
Publikováno v:
Journal of molecular biology [J Mol Biol] 1999 Jul 02; Vol. 290 (1), pp. 267-81.
Autor:
Pappu RV; Center for Molecular Design, Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri 63110, USA., Marshall GR, Ponder JW
Publikováno v:
Nature structural biology [Nat Struct Biol] 1999 Jan; Vol. 6 (1), pp. 50-5.
Autor:
Huang ES; Department of Biochemistry and Molecular Biophysics, Washington University School of Medicine, Saint Louis, Missouri 63110, USA., Samudrala R, Ponder JW
Publikováno v:
Protein science : a publication of the Protein Society [Protein Sci] 1998 Sep; Vol. 7 (9), pp. 1998-2003.