TCBG Seminar

Understanding the molecular mechanisms of Epigenetic Regulation and Bacterial Defenses with All-Atom Simulations

Professor Jeff Wereszczynski
Illinois Institute of Technology
Chicago, IL

Monday, October 28, 2019
3:00 pm (CT)
3269 Beckman Institute


In this talk I will focus on two distinct areas in which we utilize all-atom molecular dynamics simulations to probe biomolecular mechanisms. In the first, I will discuss our ongoing work on understanding the physical mechanisms underpinning gene regulation and epigenetic regulation. In particular, I will focus on the effects of histone variants and linker histones on the structure and dynamics of single nucleosomes and poly-nucleosomal arrays. In the second, I will discuss our work examining how Gram-negative bacteria increase their resistance to conventional antibiotics and antimicrobial peptides by altering the lipopolysaccharides (LPS) in their outer membrane. Our results show modifications made through the PhoPQ two-component regulatory system create stronger outer membranes which are more resilient to antimicrobial peptide insertion and have helped to rectify inaccuracies in commonly used LPS force fields.

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