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gener 8 @ 12:00 - 13:30

Structure prediction and design of intrinsically disordered proteome

Speaker: Prof. Kresten Lindorff-Larsen

Structural Biology and NMR Laboratory, Linderstrøm-Lang Centre for Protein Science, University of Copenhagen, Denmark.

Intrinsically disordered proteins and regions (collectively IDRs) are pervasive across proteomes in all kingdoms of life, help shape biological functions and are involved in numerous diseases. IDRs populate a diverse set of transiently formed structures yet defy commonly held sequence-structure-function relationships. In my talk I will describe how we can use molecular simulations with coarse-grained models and machine learning to study the relationship between sequence, conformational properties, and functions of IDRs.
I will first describe how we have used experimental data to learn a coarse-grained molecular energy function—that we call CALVADOS—to predict conformational properties of IDPs, multidomain proteins and RNA. I will describe the Bayesian formalism we developed to parameterize CALVADOS by targeting experimental data, and how this model enables us to study interactions within and between IDRs in biomolecular condensates.
I will then describe how we have generated conformational ensembles of all intrinsically disordered regions of the human proteome and used these to provide insight into sequence-ensemble relationships and evolutionary conservation of IDRs. I will also show how we can use the information encoded in CALVADOS to design disordered proteins with desired conformational properties and propensity to undergo phase separation. Finally, I will describe how we can use CALVADOS together with an active learning protocol to learn a quantitative model for the sequence rules governing the formation of biomolecular condensates.

Mostra els detalls

Data:
gener 8
Hora:
12:00 - 13:30
Categoria d'Esdeveniment:
Lloc web:
https://www.irbbarcelona.org/es/events/structure-prediction-and-design-intrinsically-disordered-proteome-nodes-seminar

Organitzador

IRB Barcelona – Institut de Recerca Biomedica
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Recinte

Edifici Torres R+D+I, Auditori Antoni Caparrós
C/ Baldiri Reixac 4-8
Barcelona, Barcelona 08028 Espanya
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