Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design
Efforts to engineer high-performance protein-based materials inspired by nature have mostly focused on altering naturally occurring sequences to confer the desired functionalities, whereas de novo design lags significantly behind and calls for unconventional innovative approaches. Here, using partia...
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sg-ntu-dr.10356-1801122024-09-20T15:44:28Z Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design Laakko, Timo Korkealaakso, Antti Yildirir, Burcu Firatligil Batys, Piotr Liljeström, Ville Hokkanen, Ari Nonappa Penttilä, Merja Laukkanen, Anssi Miserez, Ali Södergård, Caj Mohammadi, Pezhman School of Materials Science and Engineering School of Biological Sciences Center for Sustainable Materials Engineering Computational modeling De novo design Efforts to engineer high-performance protein-based materials inspired by nature have mostly focused on altering naturally occurring sequences to confer the desired functionalities, whereas de novo design lags significantly behind and calls for unconventional innovative approaches. Here, using partially disordered elastin-like polypeptides (ELPs) as initial building blocks this work shows that de novo engineering of protein materials can be accelerated through hybrid biomimetic design, which this work achieves by integrating computational modeling, deep neural network, and recombinant DNA technology. This generalizable approach involves incorporating a series of de novo-designed sequences with α-helical conformation and genetically encoding them into biologically inspired intrinsically disordered repeating motifs. The new ELP variants maintain structural conformation and showed tunable supramolecular self-assembly out of thermal equilibrium with phase behavior in vitro. This work illustrates the effective translation of the predicted molecular designs in structural and functional materials. The proposed methodology can be applied to a broad range of partially disordered biomacromolecules and potentially pave the way toward the discovery of novel structural proteins. Ministry of Education (MOE) Nanyang Technological University Published version This work was supported by the Academy of Finland Grant No. 348628, Jenny and Antti Wihuri Foundation (Centre for Young Synbio Scientists), the Academy of Finland Center of Excellence Program (2022-2029) in Life-Inspired Hybrid Materials (LIBER) Grant No. 346106, as well as internal funding from the VTT Technical Research Centre of Finland. The work was also financially supported by the National Science Centre, Poland, Grant No. 2018/31/D/ST5/01866. AM acknowledges financial support from the Singapore Ministry of Education (MOE) through an Academic Research (AcRF) Tier 3 grant (Grant No. MOE 2019-T3-1-012) and from the strategic initiative on biomimetic and sustainable materials (IBSM) at Nanyang Technological University (NTU). The authors wish to acknowledge CSC – IT Center for Science, Finland, as well as Poland’s high-performance computing infrastructure PLGrid (HPC Centers: ACK Cyfronet AGH) grant no. PLG/2023/016229, for providing computational resources. 2024-09-17T06:16:30Z 2024-09-17T06:16:30Z 2024 Journal Article Laakko, T., Korkealaakso, A., Yildirir, B. F., Batys, P., Liljeström, V., Hokkanen, A., Nonappa, Penttilä, M., Laukkanen, A., Miserez, A., Södergård, C. & Mohammadi, P. (2024). Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design. Advanced Materials, 36(28), e2312299-. https://dx.doi.org/10.1002/adma.202312299 0935-9648 https://hdl.handle.net/10356/180112 10.1002/adma.202312299 38710202 2-s2.0-85192764951 28 36 e2312299 en MOE 2019-T3-1-012 Advanced Materials © 2024 The Authors. Advanced Materials published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. application/pdf |
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Engineering Computational modeling De novo design Laakko, Timo Korkealaakso, Antti Yildirir, Burcu Firatligil Batys, Piotr Liljeström, Ville Hokkanen, Ari Nonappa Penttilä, Merja Laukkanen, Anssi Miserez, Ali Södergård, Caj Mohammadi, Pezhman Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
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Efforts to engineer high-performance protein-based materials inspired by nature have mostly focused on altering naturally occurring sequences to confer the desired functionalities, whereas de novo design lags significantly behind and calls for unconventional innovative approaches. Here, using partially disordered elastin-like polypeptides (ELPs) as initial building blocks this work shows that de novo engineering of protein materials can be accelerated through hybrid biomimetic design, which this work achieves by integrating computational modeling, deep neural network, and recombinant DNA technology. This generalizable approach involves incorporating a series of de novo-designed sequences with α-helical conformation and genetically encoding them into biologically inspired intrinsically disordered repeating motifs. The new ELP variants maintain structural conformation and showed tunable supramolecular self-assembly out of thermal equilibrium with phase behavior in vitro. This work illustrates the effective translation of the predicted molecular designs in structural and functional materials. The proposed methodology can be applied to a broad range of partially disordered biomacromolecules and potentially pave the way toward the discovery of novel structural proteins. |
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School of Materials Science and Engineering |
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School of Materials Science and Engineering Laakko, Timo Korkealaakso, Antti Yildirir, Burcu Firatligil Batys, Piotr Liljeström, Ville Hokkanen, Ari Nonappa Penttilä, Merja Laukkanen, Anssi Miserez, Ali Södergård, Caj Mohammadi, Pezhman |
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Article |
author |
Laakko, Timo Korkealaakso, Antti Yildirir, Burcu Firatligil Batys, Piotr Liljeström, Ville Hokkanen, Ari Nonappa Penttilä, Merja Laukkanen, Anssi Miserez, Ali Södergård, Caj Mohammadi, Pezhman |
author_sort |
Laakko, Timo |
title |
Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
title_short |
Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
title_full |
Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
title_fullStr |
Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
title_full_unstemmed |
Accelerated engineering of ELP-based materials through hybrid biomimetic-de novo predictive molecular design |
title_sort |
accelerated engineering of elp-based materials through hybrid biomimetic-de novo predictive molecular design |
publishDate |
2024 |
url |
https://hdl.handle.net/10356/180112 |
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1814047422575280128 |