five

VARPA EGFP + sugars

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https://zenodo.org/record/15064684
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资源简介:
Resuts of VARPA with sugars, including the PDB models of the complexes and results in text format for binding energies in kcal/mol (affinities_control.txt file per folder) and total_score in REF units. The results for traditional docking of EGFP with glucose are also included. These data are for generating the informatic results (figures 1, 2, 4 and 5) for the related work (Small Methods 2024, 8, 2301038).
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2025-03-21
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