(SEMINAR) Prof. Yuji Sugita, Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, Japan

data wydarzenia: 22 czerwca 2023

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.