Phishing warning 01-May-2024
We are aware of phishing emails targeting speakers of events whose names appear on our events pages. If you are unsure if an email regarding event registration or accommodation has come from us please contact us and do not provide any credit card details or personal information

SMTG Webinar Series: How well can we model protein dynamics using Markov jump processes?, Dr Antonia Mey

19 April 2023 16:00-17:30, United Kingdom

Who: Dr Antonia Mey (University of Edinburgh)
When: Wednesday 19/04/2023 at 4:00-5:30PM (UK time).
Title: How well can we model protein dynamics using Markov jump processes?
Proteins regulate and manage all processes that makeup life as we know it. Understanding their structure and how their dynamics relate to their function allows us to unravel intricate and complex biological processes. A better understanding of these processes can then be used to regulate them, and counteract e.g. disease. Molecular simulations can shed light on how proteins work, but rigorous statistical methods are needed to extract quantitative information from these simulations. Can this be automated and optimised such that we can obtain quantitative data that can be compared to experiments? Markov state models are a way of analysing simulation trajectory data using a statistical framework. 
In this talk, I will introduce why approximating protein dynamics with a Markov model is a valid approach and then will explore the good, bad and, ugly when it comes to trying to automate the building of Markov Models. For this illustrated journey into the world of Markov state modelling we will look at Cyclophilin A and its mutant's role in proline catalysis, as well as how small peptides/toy proteins such as BBA and chignolin fold. 

United Kingdom

Contact information
Showing all upcoming events
Start Date
End Date
Subject area
Event type


E-mail Enquiry