Class Dates

01/16/2024 to 05/03/2024

Units

3.0

Delivered By

Online Asynchronous

Online Synchronous

Instructor(s)

Jeffrey Comer
(jeffcomer@ksu.edu)

Meeting Times

Meets by Appt

Meeting Location

Distance Education

Description:

This course is designed for students in the life or physical sciences with interest in computational medicine and drug design. The course focuses on the basics of protein architecture and the thermodynamics of protein–ligand binding, virtual screening of drug candidates, modeling of unknown protein structure, the pharmacophore concept, explicit-solvent molecular dynamics simulation, the thermodynamics of protein–ligand association, and free-energy calculation techniques. For each of these topics, practical knowledge is developed through computer-based practical exercises using professional and academic grade software. In addition to treating the traditional focus of drug design, i.e. maximizing the binding affinity of a candidate drug for the target biomolecule, the course also addresses the increasing use of similar techniques for predicting other interactions important for the safety and efficacy of a drug, such as screening for side effects due to interactions with off-target biomolecules.

• Optional synchronous Zoom sessions TBD based on students availability.

Permissions:

• Instructor Jeffrey Comer's permission is required after 01/23/2024.

Student Requirements:

• Computer meeting recommended requirements.

• Internet access