[HTML][HTML] Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments
J Flowers, N Echols, G Correy, P Jaishankar, T Togo… - …, 2024 - pmc.ncbi.nlm.nih.gov
Small molecule ligands exhibit a diverse range of conformations in solution. Upon binding to
a target protein, this conformational diversity is generally reduced. However, ligands can …
a target protein, this conformational diversity is generally reduced. However, ligands can …
Identifying novel chemical matter against the Chikungunya virus nsP3 macrodomain through crystallographic fragment screening
JC Aschenbrenner, AS de Godoy, M Fairhead… - …, 2024 - pmc.ncbi.nlm.nih.gov
Chikungunya virus (CHIKV) causes severe fever, rash and debilitating joint pain that can last
for months1, 2or even years. Millions of people have been infected with CHIKV, mostly in …
for months1, 2or even years. Millions of people have been infected with CHIKV, mostly in …