JM Paggi, JA Belk, SA Hollingsworth… - Proceedings of the …, 2021 - National Acad Sciences

Leveraging nonstructural data to predict structures and affinities of protein–ligand complexes.

Build and Broaden 3.0 AND Program Evaluation

Belk, Hollingsworth, Paggi

GSID: hlHb25-5kl8J

Excerpt

Over the past five decades, tremendous effort has been devoted to computational methods for predicting properties of ligands—ie, molecules that bind macromolecular targets. Such …