Principles of Protein Structural Ensembles Determination

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• Michele Vendruscolo (Department of Chemistry, University of Cambridge)
• Wednesday 17 November 2021, 14:00-15:00
• CMS, Meeting Room 15.

If you have a question about this talk, please contact Samantha Noel.

Our intention is to deliver all Seminars in person, we will follow University Covid Guidance on this. Seminars are aimed mainly at MPhil CompBio students, but are open to anyone who wishes to attend by pre-booking with the Administrator.

Achieving a comprehensive understanding of the behaviour of proteins is greatly facilitated by the knowledge of their structures, thermodynamics and dynamics. This information can be provided in an effective manner in terms of structural ensembles. A structural ensemble can be obtained by determining the structures, populations and interconversion rates for all the main states that a protein can occupy. I will describe how the well-established principles of protein structure determination should be extended to the case of protein structural ensembles determination. These principles concern primarily how to deal with conformationally heterogeneous states, and with experimental measurements that are averaged over such states and affected by a variety of errors. I will address some conceptual problems in the determination of structural ensembles and define future goals towards the establishment of objective criteria for the comparison, validation, visualization, and dissemination of such ensembles.

This talk is part of the Computational and Systems Biology Seminar Series 2023 - 24 series.

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