view article
Figure 3
A classic-based global interaction screening of L-cys on the p(3×3) CdS (0001) surface reveals a complex range of multi-conformational adsorptions. (a) Top view of the CdS (0001) unit cell used to study the adsorption of L-cys (left), along with the global interaction heatmap (right), displaying more stable adsorption conformations in dark blue and less stable adsorptions in yellow. (b) Top-view representations of the most stable and least stable conformations on the surface, showcasing the ability of the workflow to correctly identify divergences in adsorption stability driven by sterically driven conformational changes.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1462-1468
https://doi.org/10.1107/S1600576725005230
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS