For more information, and the complete schedule visit https://chem.as.uky.edu/2019-naff-symposium.

Sid Dobrin is Department Chair at the University of Florida and Director of the TRACE Institute. He is the author and editor of Postcomposition, Writing Environments, Ecology, Writing Theory, and New Media: Writing Ecology, and numeours other books, articles, and chapters. 

The second annual KY Gender & Women's Studies Conference



This year's theme is "A Common(wealth) of Justice"



Keynote speakers: Garth Greenwell and Andrea Jenkins

For more information about the conference visit the website: https://kygws.as.uky.edu/

For information about registration visit the registration page:  https://kygws.as.uky.edu/registration-form

Abstract:

Detailed understanding of how conformational dynamics orchestrates function in allosteric regulation of recognition and catalysis at atomic resolution remains ambiguous. The three dimensional structure of protein is not always adequate to provide a complete understanding of protein function. We use atomistic molecular dynamics simulations to complement experiments to understand how protein conformational dynamics are coupled to allosteric function. We analyze multi-dimensional simulation trajectories by mapping key dynamical features within individual macrostates as residue-residue contacts. In this talk, we will discuss computational studies on members of a ubiquitous family of enzymes that regulate many sub-cellular processes. The effects of distal mutations and substrate binding are observed at locations far beyond the mutation and binding sites, implying their importance in allostery. The results provide insights into the general interplay between enzyme conformational dynamics and catalysis from an atomistic perspective that have implications for structure based drug design and protein engineering.