Basic Moco II is the second in the BASIC MOCO SERIES. Continuing the lessons started in Basic Moco I, Basic MoCo II stives to bring the foundational concepts of forcefields and molecular dynamics simulations implemented in both AmberTools and Gromacs. These have been routine workflow from us here at RESLAR Labs.
Our goal remain the same: expose the learner to the basics and spur them to go ahead and learn more. A sound foundation in molecular modelling will set the stage for the upward climb. This course is suitable for undergraduate and early-career postgraduate students. As with every of of our courses, we hold that this course is far from being exhaustive; rather, it is an invitation to the endless world of science, computation, modelling and drug discovery.
A very special thanks to RESLAR Labs, Shadrach Eze, Munachiso Elekwa, Stephen Nnemolisa, Ignatius Satuku, Dr. Wande M. Oluyemi and Dr. Adewumi T. Adeniyi for their oversights, contributions and review.
- Course Requirements
- Modules
- High Performance Computing (HPC) in Modern Biomolecular Simulations Module
- Advanced Python for Drug Disocvery Module
- Theory: Molecular Mechanics and Dynamics Module
- File Types in Molecular Dynamics Simulation Module
- Forcefields, Periodic Boxes and Water Models Module
- Parametrization of Systems and Simulation Engines Module
- AmberTools and Workflow Module
- Gromacs Engine and Workflow Module
- Analysis of Molecular Dynamics Simulation Run Module
- Free Energy Computation Module
- Capstone Project
- Frequently Asked Questions (FAQs)
- References
- Contact Us
This is a basic course intended for undergraduate and early-career postgraduate students. As such, the learner is expected to have basic understanding in Biology and chemistry. In addition, the details of the hardware, and software requirements including outcomes are available in the requirements file