Residue-residue contact prediction using ESM2 enhanced with template-based structural priors from homologous sequences.
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Oct 25, 2025 - Python
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contact-map
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A collection of Jupyter notebooks and tools for analyzing water behavior and protein-ligand interactions from molecular dynamics (MD) simulations. Includes scripts for water residence time, density mapping, contact analysis, and visualization using MDAnalysis.
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Oct 14, 2025 - Jupyter Notebook
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