Protein-Water Molecular Dynamics
Folio de validez oficial
por la red SEP-CONOCER del EC0301 y EC0366
Duration: 5 weeks
Inicio de curso: Matricúlate ahora y arranca al instante
Course start: January 10, 2022
Modality: Online
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, 8+ patentes
about the course
In this course, concepts of protein sequences and structure (construction and search), force fields, preparation of files to run a molecular dynamics, simulation using the NAMD program on your computer and analysis of the results are discussed. with VMD and the CARMA program.
TEMARY
one. Presentation.
two. Protein structure.
3. Application of molecular dynamics (DM) in the pharmaceutical area.
Four. DM application in the biotechnology area.
5. Generalities about Force fields.
6. Concepts, (RMSD, RMSF, Rg, solvent accessible surfaces, conformational changes).
7. Visualization exercises with VMD.
8. Files required for a DM.
9. Preparing files to run DM.
10. Structure minimization for DM.
eleven. DM simulation in NAMD.
12. Continuation of DM simulation at NAMD.
13. Analysis of results by VMD.
14. Analysis of results by CARMA.
fifteen. Continuation of analysis of results by CARMA.
Do you want to know more about the agenda? Download the PDF version