Expanding automated multiconformer ligand modeling to macrocycles and fragments.

Jessica Flowers, Nathaniel Echols, Galen J Correy, Priyadarshini Jaishankar, Takaya Togo, Adam R Renslo, Henry van den Bedem, James S Fraser, Stephanie A Wankowicz. Expanding automated multiconformer ligand modeling to macrocycles and fragments. eLife. 2025 Jun 30; 14.

2025
https://researcherprofiles.org/profile/650926174

Jessica Flowers, Nathaniel Echols, Galen J Correy, Priyadarshini Jaishankar, Takaya Togo, Adam R Renslo, Henry van den Bedem, James S Fraser, Stephanie A Wankowicz