This title appears in the Scientific Report :
2021
Please use the identifier:
http://dx.doi.org/10.1016/j.sbi.2020.10.019 in citations.
Please use the identifier: http://hdl.handle.net/2128/26820 in citations.
Amyloid aggregation simulations: challenges, advances and perspectives
Amyloid aggregation simulations: challenges, advances and perspectives
In amyloid aggregation diseases soluble proteins coalesce intoa wide array of undesirable structures, ranging througholigomers and prefibrillar assemblies to highly ordered amyloidfibrils and plaques. Explicit-solvent all-atom moleculardynamics (MD) simulations of amyloid aggregation have beenperfor...
Saved in:
Personal Name(s): | Strodel, Birgit (Corresponding author) |
---|---|
Contributing Institute: |
Strukturbiochemie; IBI-7 |
Published in: | Current opinion in structural biology, 67 (2021) S. 145 - 152 |
Imprint: |
Amsterdam [u.a.]
Elsevier
2021
|
DOI: |
10.1016/j.sbi.2020.10.019 |
Document Type: |
Journal Article |
Research Program: |
Information Processing in Neuronal Networks Physical Basis of Diseases |
Link: |
Restricted Published on 2020-12-03. Available in OpenAccess from 2021-12-03. |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/26820 in citations.
LEADER | 05173nam a2200697 a 4500 | ||
---|---|---|---|
001 | 889731 | ||
005 | 20230111074229.0 | ||
024 | 7 | |a 10.1016/j.sbi.2020.10.019 |2 doi | |
024 | 7 | |a 0959-440X |2 ISSN | |
024 | 7 | |a 1879-033X |2 ISSN | |
024 | 7 | |a 2128/26820 |2 Handle | |
024 | 7 | |a altmetric:95752601 |2 altmetric | |
024 | 7 | |a 33279865 |2 pmid | |
024 | 7 | |a WOS:000647703900007 |2 WOS | |
037 | |a FZJ-2021-00352 | ||
082 | |a 570 | ||
100 | 1 | |a Strodel, Birgit |0 P:(DE-Juel1)132024 |b 0 |e Corresponding author |u fzj | |
245 | |a Amyloid aggregation simulations: challenges, advances and perspectives | ||
260 | |a Amsterdam [u.a.] |c 2021 |b Elsevier | ||
520 | |a In amyloid aggregation diseases soluble proteins coalesce intoa wide array of undesirable structures, ranging througholigomers and prefibrillar assemblies to highly ordered amyloidfibrils and plaques. Explicit-solvent all-atom moleculardynamics (MD) simulations of amyloid aggregation have beenperformed for almost 20 years, revealing valuable informationabout this phenomenon. However, these simulations arechallenged by three main problems. Firstly, current force fieldsmodeling amyloid aggregation are insufficiently accurate.Secondly, the protein concentrations in MD simulations areusually orders of magnitude higher than those used in vitro orfound in vivo, which has direct consequences on theaggregates that form. Finally, the third problem is the wellknowntime-scale limit of MD simulations. In this review Ihighlight recent approaches to overcome these threelimitations. | ||
588 | |a Dataset connected to CrossRef | ||
773 | |a 10.1016/j.sbi.2020.10.019 |g Vol. 67, p. 145 - 152 |0 PERI:(DE-600)2019233-2 |p 145 - 152 |t Current opinion in structural biology |v 67 |y 2021 |x 0959-440X | ||
856 | 4 | |u http://juser.fz-juelich.de/record/889731/files/Amyloid%20aggregation%20simulations%20challenges%2C%20advances%20and%20perspectives-1.pdf |y Restricted | |
856 | 4 | |u http://juser.fz-juelich.de/record/889731/files/Autorenmanuskript_Amyloid%20aggregation%20simulations%3A%20challenges%2C%20advances%20and%20perspectives.pdf |y Published on 2020-12-03. Available in OpenAccess from 2021-12-03. |z StatID:(DE-HGF)0510 | |
909 | C | O | |o oai:juser.fz-juelich.de:889731 |p openaire |p open_access |p VDB |p driver |p dnbdelivery |
910 | 1 | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)132024 | |
913 | 0 | |a DE-HGF |b Key Technologies |l BioSoft – Fundamentals for future Technologies in the fields of Soft Matter and Life Sciences |1 G:(DE-HGF)POF3-550 |0 G:(DE-HGF)POF3-553 |3 G:(DE-HGF)POF3 |2 G:(DE-HGF)POF3-500 |4 G:(DE-HGF)POF |v Physical Basis of Diseases |x 0 | |
913 | 1 | |a DE-HGF |b Key Technologies |l Natural, Artificial and Cognitive Information Processing |1 G:(DE-HGF)POF4-520 |0 G:(DE-HGF)POF4-524 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-500 |4 G:(DE-HGF)POF |v Molecular and Cellular Information Processing |9 G:(DE-HGF)POF4-5244 |x 0 | |
914 | 1 | |y 2021 | |
915 | |a DBCoverage |0 StatID:(DE-HGF)0200 |2 StatID |b SCOPUS |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)0160 |2 StatID |b Essential Science Indicators |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)1050 |2 StatID |b BIOSIS Previews |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)0600 |2 StatID |b Ebsco Academic Search |d 2020-09-03 | ||
915 | |a Creative Commons Attribution-NonCommercial-NoDerivs CC BY-NC-ND 4.0 |0 LIC:(DE-HGF)CCBYNCND4 |2 HGFVOC | ||
915 | |a Embargoed OpenAccess |0 StatID:(DE-HGF)0530 |2 StatID | ||
915 | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |b CURR OPIN STRUC BIOL : 2018 |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)1030 |2 StatID |b Current Contents - Life Sciences |d 2020-09-03 | ||
915 | |a WoS |0 StatID:(DE-HGF)0113 |2 StatID |b Science Citation Index Expanded |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |d 2020-09-03 | ||
915 | |a Peer Review |0 StatID:(DE-HGF)0030 |2 StatID |b ASC |d 2020-09-03 | ||
915 | |a IF >= 5 |0 StatID:(DE-HGF)9905 |2 StatID |b CURR OPIN STRUC BIOL : 2018 |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)1120 |2 StatID |b BIOSIS Reviews Reports And Meetings |d 2020-09-03 | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |d 2020-09-03 | ||
915 | |a Nationallizenz |0 StatID:(DE-HGF)0420 |2 StatID |d 2020-09-03 |w ger | ||
915 | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Clarivate Analytics Master Journal List |d 2020-09-03 | ||
980 | |a journal | ||
980 | |a VDB | ||
980 | |a I:(DE-Juel1)IBI-7-20200312 | ||
980 | |a UNRESTRICTED | ||
980 | 1 | |a FullTexts | |
536 | |a Information Processing in Neuronal Networks |0 G:(DE-HGF)POF4-5244 |c POF4-524 |f POF IV |x 1 | ||
536 | |a Physical Basis of Diseases |0 G:(DE-HGF)POF3-553 |c POF3-553 |f POF III |x 0 | ||
336 | |a ARTICLE |2 BibTeX | ||
336 | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1640941605_7048 |2 PUB:(DE-HGF) | ||
336 | |a Output Types/Journal article |2 DataCite | ||
336 | |a article |2 DRIVER | ||
336 | |a Nanopartikel unedler Metalle (Mg0, Al0, Gd0, Sm0) |0 0 |2 EndNote | ||
336 | |a JOURNAL_ARTICLE |2 ORCID | ||
920 | |l yes | ||
920 | |k Strukturbiochemie; IBI-7 |0 I:(DE-Juel1)IBI-7-20200312 |l Strukturbiochemie |x 0 | ||
990 | |a Strodel, Birgit |0 P:(DE-Juel1)132024 |b 0 |e Corresponding author |u fzj |