BiophysicsJournal of Chemical Information and ModelingPeer-reviewed
Mapping protein conformational landscapes from crystallographic drug fragment screens
Ammaar A. Saeed, Margaret A. Klureza, Doeke R. Hekstra
The paper introduces a Python package to map protein conformational landscapes using crystallographic drug fragment screens and applies it to PTP-1B and SARS-CoV-2 MPro.
9 citations