AI-driven drug discovery and personalized medicine: integrating quantum computing and next-generation technologies
M. Fareed, S. Shityakov
· Quantum Machine Intelligence · 0 citations
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Open access
Aug 2026
Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites
Siteomix is an integrated plugin for the PyMOL molecular graphics system that automates the detection of binding pockets via the LIGSITE algorithm, visualizes them as discrete point clouds colored by cavity depth, and performs a two-step alignment combining the rigid iterative closest point (ICP) algorithm with differential evolution optimization.
Kira M. Velieva, E. Skorb, S. Shityakov
· Journal of Computer-Aided Mo... · 0 citations