4th year: molecular coupling (Docking Protein-Ligand)
Folio de validez oficial por la red SEP-CONOCER EC0301
Duration: 4 weeks
Masterclass GRATIS por ZOOM:
Registro: https://pharbiois.milaulas.com/
Course start: May 09, 2022
Modality: Online
Profesor: Juan Diego Guarimata
Formación: QFB, cDr en Ciencias
Productividad: 5+ artículos científicos
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
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