Fellows Training Workshop

  • Training Workshop for 2016 P30 CDAR Annual MeetingLocation: BST3, Room 3073, University of Pittsburgh

    1:30 – 3:00 pm              Core A Training (30 minute lecture and 1 hour demo & practice)

    Training topics:

    (1) Chemogenomics Database for Drug Abuse & Neuro-disordersGenes, protein targets, pathways involved in a disease and small molecules that can directly interact with these key proteins with the potential to modulate the disease.

    (2) TargetHunerMap: To predict the potential protein target(s) of a small molecule drug or a chemical compound through structure similarity or molecular docking.

    (3) BBB prediction: To predict the blood-brain barrier (BBB) permeability of a small molecule based on its chemical features.

    3:00 – 4:30 pm                 Core B Training (30 minute lecture and 1 hour demo & practice)

    Training topics:

    (1) ANM (Anisotropic network model): an elastic network based tool for analysis of dynamics of proteins and nucleic acids.

    (2) ProDy: a free and open-source Python package for protein structural dynamics and sequence analysis.

    (3)Druggability simulations: the use of DRUGUI, a VMD plugin, for performing MD simulations for druggability assessment, using probe molecules.

    4:30 – 6:00 pm                 Core C Training (30 minute lecture and 1 hour demo & practice)

    Training topic:

    GenAMap: GenAMap software is a powerful platform for detection and easy visualization of structured association of genomic data and physical traits.