4th year: molecular coupling (Docking Protein-Ligand)
Validez oficial/curricular por la red SEP-CONOCER ECO301
Duration: 4 weeks
Inicio de curso: 10 de marzo del 2025 (acceso inmediato).
Course start: May 09, 2022
Modality: Online
Spanish Language
Profesor: Dr Lenin Dominguez Ramírez
Formación: D en C en Bioquímica, posdoc en UC Davis
Reconocimiento: Investigador SNII-2
Productividad: +39 artículos científicos, 3 capítulos
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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