OpenFE 2024 Industry Benchmarking Project, Results from Boehringer Ingelheim, jacs_set jnk1 & ptpb1, charge_annihilation_set egfr, scaffold_hopping factor_xa
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2025
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| _version_ | 1866902085568561152 |
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| author | Ries, Benjamin Magarkar, Aniket |
| author_facet | Ries, Benjamin Magarkar, Aniket |
| 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> |
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| id | zenodo_https___doi_org_10_5281_zenodo_14707955 |
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| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | OpenFE 2024 Industry Benchmarking Project, Results from Boehringer Ingelheim, jacs_set jnk1 & ptpb1, charge_annihilation_set egfr, scaffold_hopping factor_xa Ries, Benjamin Magarkar, Aniket <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> |
| title | OpenFE 2024 Industry Benchmarking Project, Results from Boehringer Ingelheim, jacs_set jnk1 & ptpb1, charge_annihilation_set egfr, scaffold_hopping factor_xa |
| url | https://doi.org/10.5281/zenodo.14707955 |