Course: Molecular Modeling
Duration: 6 weeks
Validez oficial/curricular de la red SEP-CONOCER EC0301
Clase gratis: Próximamente
Registro: https://www.pharbiois.com/contacto
Course start: 07 March 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
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.
TEMARY
Description of amino acids: stereochemistry, nomenclature, physicochemical properties.
Proteomics and OMICS
Immuno-informatics concepts
Biotechnology Fundamentals (microarrays)
Bioinformatics statistics
Functional Groups, Atomic charges, conformation and configuration, LogP, Electronic and steric effects.
Chemical descriptors and QSAR
Drug design considering properties ADMET, virtual screening, PCAs and Drug screening workflow systems
Molecular mechanics (generalities) and Semi-empirical methods (generalities)
Quantum mechanics (general)
Protein-ligand docking
Macromolecular-macromolecule docking
Dendrimers, in silico studies
Basic Principles of Molecular Dynamics
Docking Workshop (Molecular coupling)
Molecular dynamics workshop with VMD-NAMD
Do you want more to know more about the agenda? Download the PDF version