Macs in Chemistry

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Open Source Tools for Chemistry Workshops:- GNINA


The latest in the Open Source tools for Chemistry, fantastic workshop using GNINA for docking.

GNINA 1.0 by David Koes. The use of docking to predict ligand binding to a receptor is now well established, this workshop will cover docking and structure-based virtual screening, with an introduction to the theory followed by practical examples. The slides for the Molecular Docking with GNINA 1.0 workshop are here and the Jupyter Notebooks are here.

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