Webinar #37: Homology Modeling and Molecular Dynamics Study of “Stubborn” Proteins

 

Homology Modeling and Molecular Dynamics Study of “Stubborn” Proteins

Asst. Prof. Dr. Şebnem EŞSİZ
Kadir Has University

8th October 2021, 15:00 (Turkish Time)

 

Abstract:

The seminar will be based on conformational dynamics study of two proteins: Acetylcholinesterase and N-Methyl-D Aspartate type Glutamate Receptors. The former protein is special in terms of its deep ligand binding pocket and its strong covalent interaction with nerve agents, while the latter one has a very inflexible ion channel structure and its overactivation plays a key role in neuronal injury and neuron death. An understanding of the structure function relations of these proteins is limited due to their intrinsic structural features and limited experimental structural information about them. The structure and function mechanisms will be discussed with enhanced computational structure prediction tools and molecular dynamics simulations.

 

About Şebnem Eşsiz:

Prior to joining the faculty at Kadir Has University, Şebnem Eşsiz held post-doctoral scholar positions at Lawrence Livermore National Lab and Prof. Andrej Sali’s Lab at Univ. of California, San Francisco. She received her PhD in Computational Biophysics from Univ. of Pittsburgh, PA following her BS degree in Chemistry from Koç University, Turkey. Her main research interests are coarse-grained simulation techniques for the study of long-time scale conformational dynamics of proteins, ion channel proteins, ligand-induced conformational changes, and enhanced sampling algorithms for homology-based structure prediction tools.

 

Webinar attendance link: bit.ly/3DmzuI7

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