The Centre of New Technologies invites to a seminar by
Prof. Yuji Sugita
Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, Japan
Title: Protein dynamics and functions using enhanced sampling MD simulations
Date: 22th June 2023, Thursday
Time: 12:00 pm (Central European Time)
Host: Prof. Joanna Trylska, Marta Kulik, PhD
The seminar will be in the CeNT aula hall (01.130) on the first floor
Abstract:
In this talk, I will explain several enhanced sampling MD simulation methods and discuss how they are applied to large conformational changes in proteins and protein-ligand binding processes. I will also discuss how enzyme catalysis can be understood using QM/MM reaction analysis and MD simulations.
