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Bibliographic Details
Main Authors: Ries, Benjamin, Magarkar, Aniket
Format: Recurso digital
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Published: Zenodo 2025
Online Access:https://doi.org/10.5281/zenodo.14707955
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Table of Contents:
  • <p>OpenFE 2024 Industry Benchmarking Project. Results from systems <em>jacs_set jnk1 and ptp1b, charge_annhilation_set egfr and scaffold_hopping_set factor_xa</em>. OpenFE version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024</p>