DockStream: a docking wrapper to enhance de novo molecular design
Abstract Recently, we have released the de novo design platform REINVENT in version 2.0. This improved and extended iteration supports far more features and scoring function components, which allows bespoke and tailor-made protocols to maximize impact in small molecule drug discovery projects. A maj...
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| Main Authors: | , , , , , , , , , |
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| Format: | article |
| Language: | EN |
| Published: |
BMC
2021
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| Subjects: | |
| Online Access: | https://doaj.org/article/52346401511c411199adbbd42216b9e7 |
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