Literature DB >> 33983381

In-silico prediction of in-vitro protein liquid-liquid phase separation experiments outcomes with multi-head neural attention.

Daniele Raimondi1, Gabriele Orlando2, Emiel Michiels2, Donya Pakravan3,4, Anna Bratek-Skicki5, Ludo Van Den Bosch3,4, Yves Moreau1, Frederic Rousseau2, Joost Schymkowitz2.   

Abstract

MOTIVATION: Proteins able to undergo Liquid-Liquid Phase Separation (LLPS) in-vivo and in-vitro are drawing a lot of interest, due to their functional relevance for cell life. Nevertheless, the proteome-scale experimental screening of these proteins seems unfeasible, because besides being expensive and time consuming, LLPS is heavily influenced by multiple environmental conditions such as concentration, pH and temperature, thus requiring a combinatorial number of experiments for each protein.
RESULTS: To overcome this problem, we propose an Neural Network model able to predict the LLPS behavior of proteins given specified experimental conditions, effectively predicting the outcome of in-vitro experiments. Our model can be used to rapidly screen proteins and experimental conditions searching for LLPS, thus reducing the search space that needs to be covered experimentally. We experimentally validate Droppler's prediction on the the TAR DNA-binding protein in different experimental conditions, showing the consistency of its predictions. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
© The Author(s) (2021). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Year:  2021        PMID: 33983381     DOI: 10.1093/bioinformatics/btab350

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  3 in total

1.  PyUUL provides an interface between biological structures and deep learning algorithms.

Authors:  Gabriele Orlando; Daniele Raimondi; Ramon Duran-Romaña; Yves Moreau; Joost Schymkowitz; Frederic Rousseau
Journal:  Nat Commun       Date:  2022-02-18       Impact factor: 14.919

2.  LLPSDB v2.0: an updated database of proteins undergoing liquid-liquid phase separation in vitro.

Authors:  Xi Wang; Xiang Zhou; Qinglin Yan; Shaofeng Liao; Wenqin Tang; Peiyu Xu; Yangzhenyu Gao; Qian Li; Zhihui Dou; Weishan Yang; Beifang Huang; Jinhong Li; Zhuqing Zhang
Journal:  Bioinformatics       Date:  2022-01-13       Impact factor: 6.937

3.  Challenges in describing the conformation and dynamics of proteins with ambiguous behavior.

Authors:  Joel Roca-Martinez; Tamas Lazar; Jose Gavalda-Garcia; David Bickel; Rita Pancsa; Bhawna Dixit; Konstantina Tzavella; Pathmanaban Ramasamy; Maite Sanchez-Fornaris; Isel Grau; Wim F Vranken
Journal:  Front Mol Biosci       Date:  2022-08-03
  3 in total

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