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Inverse Molecular Docking as a New Powerful Tool for Drug-Repurposing

Published on Jun 14, 202354 Views

Urban Bren

Kleefstra Syndrome Scientific Conference 2023: “Moving towards the uptake and use of Artificial Intelligence (AI) in research and clinical work”, Ljubljana 2023

Related categories

BioinformaticsPersonalized MedicineChemistryComputer Intensive Methods and Applications

Chapter list

Inverse Molecular Docking as a New Powerful Tool for Drug-Repurposing00:00
Presentation structure:00:56
Typical molecular docking application in an HTVS scenario01:28
Typical molecular docking application in an HTVS scenario02:42
What is molecular docking?03:26
Inverse molecular docking04:43
Inverse molecular docking05:20
Inverse docking applications06:08
Drug Repurposing07:54
Drug Repurposing09:28
Inverse docking applications in drug repurposing10:15
Inverse docking applications in drug repurposing14:15
Inverse docking applications in drug repurposing15:09
Inverse docking applications in drug repurposing15:52
Inverse docking applications in drug repurposing16:04
Inverse docking applications in drug repurposing16:17
Inverse docking applications in drug repurposing17:15
Inverse docking applications in drug repurposing18:53
Inverse docking applications in drug repurposing19:35
Inverse docking applications in drug repurposing20:32
Our computational resources21:47
Thank You for Your attention!22:13