Ontology highlight
ABSTRACT:
SUBMITTER: Sweeney A
PROVIDER: S-EPMC10788898 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
Journal of medicinal chemistry 20231229 1
Cryo-electron microscopy (cryo-EM), through resolution advancements, has become pivotal in structure-based drug discovery. However, most cryo-EM structures are solved at 3-4 Å resolution, posing challenges for small-molecule docking and structure-based virtual screening due to issues in the precise positioning of ligands and the surrounding side chains. We present ChemEM, a software package that employs cryo-EM data for the accurate docking of one or multiple ligands in a protein-binding site. V ...[more]