Article-Journal

Structural basis of poxvirus fusion regulation and anti-A16/G9 antibody-mediated neutralization and protection
Monkeypox virus (MPXV) is a poxvirus endemic to Central and West Africa with high epidemic potential. Poxviruses enter host cells via a …
Annalisa Meola, Riccardo Vernuccio, Leandro Battini, Guillermo Albericio, Pilar Delgado, Rebecca BamFord, Laura Pokorny, Manon Broutin, Alejandro Martínez León, Sébastien Gallien, Maria Gil, Maria A. Noriega, Florence Guivel-Benhassine, Françoise Porrot, Jeanne Postal, Julian Buchrieser, Mathieu Hubert, Ahmed Haouz, Pierre Lafaye, Mariano Esteban, Jochen S. Hub, Matthieu Mahévas, Pascal Chappert, Jason Mercer, Juan Garcia-Arriaza, Olivier Schwartz, Pablo Guardado-Calvo
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Structural basis of poxvirus fusion regulation and anti-A16/G9 antibody-mediated neutralization and protection
Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations
We present Moldrug, a computational tool for accelerating the hit-to-lead phase in structure-based drug design. Moldrug explores the …
Alejandro Martínez León, Benjamin Ries, Jochen S. Hub, Aniket Magarkar
PDF Cite DOI ChemRxiv
Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations
Structural insights into tecovirimat antiviral activity and poxvirus resistance
Mpox is a zoonotic disease endemic to Central and West Africa. Since 2022, two human-adapted monkeypox virus (MPXV) strains have caused …
Riccardo Vernuccio, Alejandro Martínez León, Chetan S. Poojari, Julian Buchrieser, Christopher Selverian, Yakin Jaleta, Annalisa Meola, Florence Guivel-Benhassine, Françoise Porrot, Ahmed Haouz, Maelenn Chevreuil, Bertrand Raynal, Jason Mercer, Etienne Simon-Loriere, Kartik Chandran, Olivier Schwartz, Jochen S. Hub, Pablo Guardado-Calvo
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Structural insights into tecovirimat antiviral activity and poxvirus resistance