Classical Molecular Dynamics with NAMD

Overview

Instructor: Lisa M. Perez

Time: Friday, April 9, 1:30PM-4:00PM

Location: Zoom session only

Prerequisites: HPRC account

This course focuses on the basic concepts behind classical Molecular Dynamics (MD) and its direct application to modeling COVID-19 using NAMD, an open-source scalable molecular dynamics code.

Course Materials

Agenda

This course focuses on the following topics:

  • Protein preparation for MD simulations
  • Force-fields
  • Molecular Mechanics
  • Molecular Dynamics
  • Hands-on exercises using NAMD as applied to COVID-19

This course focuses on the basic concepts behind classical Molecular Dynamics (MD) and its direct application to modeling COVID-19 using NAMD, an open-source scalable molecular dynamics code.