BiophysicseLifePeer-reviewed
Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments
Jessica Flowers, Nathaniel Echols, G.J. Correy…·Stephanie A. M. Wankowicz
The paper improves qFit-ligand to better model ligand conformations in structural data, enhancing analysis of conformational heterogeneity in ligand-bound structures.
16 citations