Cancer Molecular Dynamics 101

Póster and Presentation Slices Formats

Starting skills

In order to qualify for the development of their theses, students in the cancer molecular dynamics laboratory must work on the following skills:

Then they specialize in skills in these areas:

  • Multiomics analysis and heterogeneity in cancer: genomics, proteomics and multiomics.
  • Design of drugs for receptor kinases associated with neoplastic proliferation.
  • Design of oncological subcellular therapy based on transporter proteins.
  • Software development to accelerate drug design.

Advanced Skills

Multiomic analysis and heterogeneity in cancer.

  • Multiomics analysis: Database curation with pandas.
  • Multiomics analysis: Machine learning with scikitlearn.
  • Multiomics analysis: GSEA, MSEA, PSEA.
  • Multiomic analysis: MOFA.
  • Heterogeneity in cancer: Mutations and expression.
  • Heterogeneity in cancer: clonal selection.
  • Heterogeneity in cancer: Relationship with the immune system.
  • Heterogeneity in cancer: Relationship with microbiota.

Drug Design/Receptor Kinase Targeted Therapy for Cancer.

  • Structure and dynamics of the Activin/BMP/ACVR1/BMPR2/SMAD receptor pathway.
  • Development of in vitro disease models.
  • Molecular dynamics of receptor kinases.
  • Calculation of free energies.

Drug design/transporter-targeted therapy for cancer.

  • Structure and dynamics of sugar transporters.
  • Structure and dynamics of solute carriers (SLC).
  • Coevolution in carrier proteins.
  • Studies of mocular dynamics of alternating transport mechanisms.

Software development to accelerate drug design.

  • Bioinformatics Pipeline: github.
  • Bioinformatics Pipeline: snakemake.
  • Bioinformatics Pipeline: docker.
  • Bioinformatics Pipeline: nextflow.