Searching for the Cure – COVID-19 Drug Docking with AutoDock and Schrödinger

Overview

Instructor: Dr. Lisa M. Perez

Time: Friday, April 17, 1:30PM-4:00PM

Location: Zoom session only

Prerequisites: HPRC account

Course Materials

Presentation slides

The presentation slides are available as downloadable PDF files.

  • COVID-19 Drug Docking with AutoDock and Schrödinger(Spring 2020): PDF

Agenda

This course focuses on the following topics:

  • Basic concepts behind drug docking
  • Ligand and protein preparation for docking
  • Scoring functions
  • Hands-on exercises using AutoDock, Glide and CovDock as applied to COVID-19

This course focuses on the basic concepts behind ligand-receptor drug docking and its practical application to modeling COVID-19 using the open-source AutoDock software and Schrödinger’s Glide and CovDock packages.