Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Petry, Marvin R.I."'
Autor:
Pillaiyar, Thanigaimalai, Flury, Philipp, Krüger, Nadine, Sud, Haixia, Schäkel, Laura, Da Silva, Elany Barbosa, Eppler, Olga, Kronenberger, Thales, Nied, Tianqing, Luedtke, Stephanie, Rocha, Cheila, Sylvester, Katharina, Petry, Marvin R.I., Poso, Antti, Pöhlmann, Stefan, Gütschow, Michael, O'Donoghue, Anthony J., Xu, Yechun, Müller, Christa E., Laufer, Stefan
Those files comprise trajectories of MD simulations of Mpro dimers in presence of covalently bound ligands of interest. We also provide the data for the simulation interactions and RMSD/RMSF as raw data here enclosed. Methods and ligand specification
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9a375848d0f778ead1a9fd11e4c41e4
Autor:
Pillaiyar, Thanigaimalai, Flury, Philipp, Krüger, Nadine, Su, Haixia, Schäkel, Laura, Barbosa Da Silva, Elany, Eppler, Olga, Kronenberger, Thales, Nie, Tianqing, Luedtke, Stephanie, Rocha, Cheila, Sylvester, Katharina, Petry, Marvin R.I., McKerrow, James H., Poso, Antti, Pöhlmann, Stefan, Gütschow, Michael, O'Donoghue, Anthony J., Xu, Yechun, Müller, Christa E.
Publikováno v:
Journal of Medicinal Chemistry; 7/14/2022, Vol. 65 Issue 13, p9376-9395, 20p
