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Course: Molecular Modeling


Duration: 6 weeks


Course start:  07 March 2022


Modality: Online


Spanish Language

about the course

It is a course that will offer concepts on structural bioinformatics ranging from concepts of omics, functional groups, protein structure, in addition to seeing concepts on molecular mechanics, quantum mechanics, molecular docking or ligand-protein docking, protein-protein, protein folding, molecular dynamics.  


  1. Description of amino acids: stereochemistry, nomenclature, physicochemical properties.

  2. Proteomics and OMICS

  3. Immuno-informatics concepts

  4. Biotechnology Fundamentals (microarrays)

  5. Bioinformatics statistics

  6. Functional Groups, Atomic charges, conformation and configuration, LogP, Electronic and steric effects.

  7. Chemical descriptors and QSAR

  8. Drug design considering properties ADMET, virtual screening, PCAs and Drug screening workflow systems

  9. Molecular mechanics (generalities) and Semi-empirical methods (generalities)

  10. Quantum mechanics (general)

  11. Protein-ligand docking

  12. Macromolecular-macromolecule docking

  13. Dendrimers, in silico studies

  14. Basic Principles of Molecular Dynamics

  15. Docking Workshop (Molecular coupling)

  16. Molecular dynamics workshop with VMD-NAMD

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

What will you learn

protein folding

quantum mechanics

molecular mechanics

Functional groups and non-covalent interactions


Eva Soriano

"Regarding the content and the platform of use, it is very useful and there is a lot of feedback from the teacher and the participants."

Investment $ 1,200 MN (60 US dollars)

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