Class Dates
01/16/2024 to 05/03/2024
Delivered By
Online Asynchronous
Online Synchronous
Jeffrey Comer
Meeting Times
Meets by Appt
Meeting Location
Distance Education

Structure-Based Drug Design

AP 875 - Class Number: 14021


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.


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

Student Requirements:

  • Internet access

Enrollment Dates
10/23/2023 to 01/16/2024
Enrollment Limit

Credit/Tuition Options

Credit Option Hours

Enrollments received on or after the first day of class may be assessed a $65 special handling fee.

Courses in Kansas State University’s new tuition and fees structure charge by program type — campus-based or online — versus by individual course delivery format. Tuition and fees rates are available at