4th year: molecular coupling (Docking Protein-Ligand)
Duration: 4 weeks
Course start: May 09, 2022
Validez oficial/curricular por la red SEP-CONOCER ECO301
Masterclass (webinar) GRATIS: PRÓXIMAMENTE
Registro: https://pharbiois.milaulas.com/
Modality: Online
about the course
In this course the student will learn concepts of drug design and screening using chemoinformatics (ADMET), concepts of basic organic chemistry are reviewed to see functional groups, non-covalent interactions, force fields and exercises will be done to prepare files and run docking simulation with autodock and do analysis of results.
TEMARY
Presentation
Functional-groups-conformation-configuration
Physicochemical properties
ADMET Properties
Non-covalent-interactions
Scoring-Sampling-Function (energy exploration and calculation)
Preparation-Ligands-docking
Obtaining-target-for-docking
Install-autodock-adt-prepare-files
Continued-preparing-files for docking
Analysis of docking results
Continuation-analysis-docking-validation
Validation-docking
Final-docking-validation
FINAL ACTIVITY
Do you want more to know more about the agenda? Download the PDF version