Molecular dynamics and machine learning unlock possibilities in beauty design—A perspective
Computational molecular design—the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches—has been widely applied to create valuable new molecular entities, from small molecule therapeutics to protein biologics. In the small data regime, phys...
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| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2025-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0245365 |
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