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05/25/2022
AI-aided multiscale modeling of physiologically-significant blood clots
We have developed an AI-aided multiple time stepping (AI-MTS) algorithm ...
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11/27/2020
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization – a combined machine learning and molecular modeling method
Drug discovery is a multi-stage process that comprises two costly major ...
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10/02/2019
