[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
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 …