BCB 750 Molecular Dynamics

Instructor: Yinglong Miao, MEJ 11004-C, Yinglong_Miao@med.unc.edu, 919-962-5696, office hours by appointment; Elisa Pieri, Caudill 118, elipieri@unc.edu, 919-961-1619, office hours by appointment

Meeting Dates: TBD (view course info in Connect Carolina)

Time: TBD (view course info in Connect Carolina)

Location:  TBD

Course Prerequisites: BCB 717 Structural Bioinformatics. Enrolled as a graduate student in the biological and chemical sciences.

Course Goals: The course is designed to introduce the most important concepts, methods, and software programs used in Molecular Dynamics (MD) simulations. Topics include, but are not limited to, computational models, force fields, simulation algorithms, enhanced sampling, protein folding, ligand binding, protein-protein/nucleic acid interactions, drug design, QM/MM, photobiuology, and machine learning. The goal is to help the students to rapidly learn MD as a powerful computational technique and use it to solve relevant problems in their own research.