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Ligand-based drug design in the AlphaFold age / David E. Clark.
- Format:
- Video
- Author/Creator:
- Clark, David E., author.
- Language:
- English
- Subjects (All):
- Artificial intelligence--Medical applications.
- Artificial intelligence.
- Proteins--Conformation.
- Proteins.
- Physical Description:
- 1 online resource (1 streaming video file (41 min.))
- Place of Publication:
- London : Henry Stewart Talks, 2025.
- System Details:
- video file
- Contents:
- Introduction
- Overview
- Meet Cinderella!
- Reasons to be cheerful
- The pharmacophore concept (1)
- The pharmacophore concept (2)
- Pharmacophore elucidation
- Pharmacophores in action
- Hit generation and modification tools
- Hit generation
- Hit generation and modification
- Hit modification
- Quantitative Structure-Activity Relationships (QSAR) and Predictive Modelling (PM)
- QSAR & PM: Overview
- QSAR & PM: Data types, descriptors, statistical methods
- QSAR & PM: Model development and validation
- QSAR & PM: Applications
- Quantum Mechanical Calculations (QMC)
- QMC: Introduction
- QMC: Applications
- QMC: Application in discovery of Dorzolamide/TrusOpt®
- Conclusion
- A fairytale ending
- Acknowledgements.
- Notes:
- Description based on publisher supplied metadata and other sources.
- Retrieved August 19, 2025, from https://doi.org/10.69645/BIUU5747.
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