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    Education: Training in Molecular Modeling and Molecular Dynamics at NIH
    Submitted by Vijayaraj Nagarajan; posted on Thursday, October 27, 2016

    Nov 29 - Dec 2, 2016
    National Institutes of Health
    9000 Rockville Pike
    Bethesda, MD, USA
    events.r20.constantcontact.com/regi[...]mblab

    BACKGROUND

    Predicting the effect of a mutation on the structure and function of a protein is not just for researchers with super-computer facilities. Thanks to public cloud computing options, anyone with basic molecular biology background can setup and run compute intensive computational modeling and dynamics experiments.

    OBJECTIVES

    Participants will get a brief hands-on introduction to the R platform, followed by hands-on walkthrough for creating several different popular plots, graphs and maps. We will start from formatting data and go all the way to loading data, setting parameters, creating the images and saving the outputs.

    Hands-on Skills/Tools Taught:
    • Ab initio protein structure modeling: QUARK / Rosetta
    • Remote homology detection: HHpred
    • Fragment-based protein structure modeling: Phyre2
    • Homology-based protein structure modeling: I-TASSER, MODELLER
    • Protein structure quality analysis: PROCHECK, WHAT_IF, Verify3D, PDB-REDO
    • Protein structure refinement: ModRefiner, ModLoop, Ramachandran plot
    • Macromolecular visualization: VMD, USCF Chimera
    • Molecular dynamics: NAMD

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