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4th year: molecular coupling (Docking Protein-Ligand)

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Duration: 4 weeks

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Course start:  May 09, 2022

Validez oficial/curricular por la red SEP-CONOCER ECO301

Masterclass (webinar) GRATIS: PRÓXIMAMENTE

Registro: https://pharbiois.milaulas.com/

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Modality: Online

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Spanish Language

Profesor: Dr José Correa Basurto
Formación: Medicina, Maestría en Farmacología, Master en Bioinformática, D en C en Investigación en Medicina, Investigador SNII-3
Productividad: 240 artículos científicos, 7 patentes
 

about the course

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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

  1. Presentation

  2. Functional-groups-conformation-configuration

  3. Physicochemical properties

  4. ADMET Properties

  5. Non-covalent-interactions

  6. Scoring-Sampling-Function (energy exploration and calculation)

  7. Preparation-Ligands-docking

  8. Obtaining-target-for-docking

  9. Install-autodock-adt-prepare-files

  10. Continued-preparing-files for docking

  11. Analysis of docking results

  12. Continuation-analysis-docking-validation

  13. Validation-docking

  14. Final-docking-validation

  15. FINAL ACTIVITY

Do you want more to know more about the agenda? Download the PDF version

 

What will you learn

Docking study practice and results analysis

ADMET properties

Functional groups and interactions

Drug design

OPINIONS

Yesenia Itzel Martinez

"The course is very well designed."

Investment $ 1,350 MN (67.5 US dollars)

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