Computational Chemistry for Experts
Workshop Overview
Part 1
- Data Preparation
- Physicochemical properties calculations and visualizing the correlation coefficient
- Database clustering
- Core-based SAR analysis and fuzzy score
- Evolutionary chemical library
- Structure similarity map of a database and activity cliffs
- 2D and 3D representation of the data outputs
- Prediction of the biological activities of the testing set of compounds
- Chemical enumeration
Part 2
- Pharmacophore-Guided Molecular Docking
- Template-Guided Molecular Docking
- Covalent Molecular Docking
- Fragment-based Molecular Docking
- Fragment Growing
- Fragment Linking
- Fragment Merging
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Duration: 2 weeks.
8-10 hours to complete.
- Level: Basic introductory and Advanced applications.
- Prerequisite: Organic Chemistry background is required. A Computer Science background is preferred but not mandatory.
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Fee: 2500 EGP
Discount Policy for Group Registration!
- Program timeframe:
- Registration
- Be contacted to confirm the participation
- Scheduling for the program sessions
- Supplied with the technical support to download the software required for the program