High-confidence placement of difficult-to-fit fragments into electron density by using anomalous signals - a case study using hits targeting SARS-CoV-2 non-structural protein 1
F. G. Kozielski, S. Ma, M. W. Bowler, V. Mykhaylyk, N. Pinotsis
This paper demonstrates a method to identify multiple binding orientations of small molecule fragments using anomalous signals from sulphur and chlorine atoms, applied to SARS-CoV-2 nsp1 fragments.
bioRxiv · Jun 16, 2023 · PreprintBiochemistry