EuL_scripts

Associated scripts with the EuL projects of the JC STEM Lab of ChemProbes. Large data files and videos will be provided via zenodo.

1. EuL2-HSA: Two-stage model of [EuL2] binding in human serum albumin (DOI: 10.1039/D5SC03017J)
2. EuL3-AGP: Selectivity and binding mechanism of [EuL3]+ (DOI: TBD)
3. conf-HSA: Configurational and structural perference of probe binding in HSA (DOI: TBD)

Remarks

• Various LLMs were used to prepare and enhance the scripts via the opencode coding agent.
• Python scripts were run in the env.yml conda environment.