Computation meets experiment: identification of highly efficient fibrillating peptides-Reference-Cited by-同舟云学术

Computation meets experiment: identification of highly efficient fibrillating peptides

Published:2023 Issue:32 Volume:25 Page:4503-4510
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Sori Lorenzo¹^ORCID,Pizzi Andrea¹^ORCID,Bergamaschi Greta²^ORCID,Gori Alessandro²,Gautieri Alfonso³^ORCID,Demitri Nicola⁴^ORCID,Soncini Monica³^ORCID,Metrangolo Pierangelo¹^ORCID

Affiliation:

1. Laboratory of Supramolecular and BioNano Materials (SupraBioNanoLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano, Via Luigi Mancinelli 7, 20131 Milan, Italy

2. Istituto di Scienze e Tecnologie Chimiche – National Research Council of Italy (SCITEC-CNR), 20131 Milan, Italy

3. Department of Electronics, Information and Bioengineering, Politecnico di Milano, 20131 Milan, Italy

4. Elettra – Sincrotrone Trieste, S.S. 14 Km 163.5 in Area Science Park, 34149 Basovizza – Trieste, Italy

Abstract

8000 pentapeptides were computed though CG-MD starting from the model sequence DFNKF. Based on experimental validation, theoretical conditions (solubility and aggregation propensity) which may favor crystallization or fibrillation were identified.

Funder

European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CE/D3CE00495C

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