Kinetics of Polyampholyte Dimerization: Influence of Charge Sequences.
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| Title: | Kinetics of Polyampholyte Dimerization: Influence of Charge Sequences. |
|---|---|
| Authors: | Kim, Seowon1 (AUTHOR), Lee, Nam-Kyung1 (AUTHOR) lee@sejong.ac.kr, Jung, Youngkyun2 (AUTHOR) yjung@kisti.re.kr, Johner, Albert3 (AUTHOR) lee@sejong.ac.kr |
| Source: | Polymers (20734360). Oct2024, Vol. 16 Issue 20, p2928. 17p. |
| Subjects: | Polyampholytes, Molecular dynamics, Dimerization, Cell physiology, Dimers |
| Abstract: | Polyampholytes (PAs) exhibit complex behaviors in various environments influenced by their charge distribution. This study focuses on the kinetics of dimerization of PAs, aiming to elucidate the underlying mechanisms and clarify relevant characteristics of the charge sequence. We focus on PAs with non-zero net charges, employing molecular dynamics simulations and theoretical analyses to examine how charge sequences influence the rates of dimer formation and dissociation. Our findings reveal that the charge sequence of tails and the blockiness of the minority charge group markedly influence the kinetics of dimerization: large blockiness and tails with a high number of majority-type charges slow down the dissociation of dimers. Additionally, the presence of an extended (central) block of the majority charge promotes structural diversity. Within dimer states, blocks alternate between intra- and inter-chain contacts. The duration times in the dimer states are significantly longer than the typical dwell times of block inter-contacts, with a notable extension when multiple blocks are engaged. Intrinsically disordered proteins (IDPs) play crucial roles in cellular functions, primarily due to their ability to undergo rapid conformational changes and form transient complexes. These properties largely depend on the sequence of charged residues. We provide insights into the fundamental principles governing the structural and dynamical properties of polyampholytic IDP, emphasizing the importance of sequence-specific effects on both aggregation and dissociation. [ABSTRACT FROM AUTHOR] |
| Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 180529158 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Kinetics of Polyampholyte Dimerization: Influence of Charge Sequences. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Kim%2C+Seowon%22">Kim, Seowon</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lee%2C+Nam-Kyung%22">Lee, Nam-Kyung</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> lee@sejong.ac.kr</i><br /><searchLink fieldCode="AR" term="%22Jung%2C+Youngkyun%22">Jung, Youngkyun</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> yjung@kisti.re.kr</i><br /><searchLink fieldCode="AR" term="%22Johner%2C+Albert%22">Johner, Albert</searchLink><relatesTo>3</relatesTo> (AUTHOR)<i> lee@sejong.ac.kr</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Polymers+%2820734360%29%22">Polymers (20734360)</searchLink>. Oct2024, Vol. 16 Issue 20, p2928. 17p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Polyampholytes%22">Polyampholytes</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Dimerization%22">Dimerization</searchLink><br /><searchLink fieldCode="DE" term="%22Cell+physiology%22">Cell physiology</searchLink><br /><searchLink fieldCode="DE" term="%22Dimers%22">Dimers</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Polyampholytes (PAs) exhibit complex behaviors in various environments influenced by their charge distribution. This study focuses on the kinetics of dimerization of PAs, aiming to elucidate the underlying mechanisms and clarify relevant characteristics of the charge sequence. We focus on PAs with non-zero net charges, employing molecular dynamics simulations and theoretical analyses to examine how charge sequences influence the rates of dimer formation and dissociation. Our findings reveal that the charge sequence of tails and the blockiness of the minority charge group markedly influence the kinetics of dimerization: large blockiness and tails with a high number of majority-type charges slow down the dissociation of dimers. Additionally, the presence of an extended (central) block of the majority charge promotes structural diversity. Within dimer states, blocks alternate between intra- and inter-chain contacts. The duration times in the dimer states are significantly longer than the typical dwell times of block inter-contacts, with a notable extension when multiple blocks are engaged. Intrinsically disordered proteins (IDPs) play crucial roles in cellular functions, primarily due to their ability to undergo rapid conformational changes and form transient complexes. These properties largely depend on the sequence of charged residues. We provide insights into the fundamental principles governing the structural and dynamical properties of polyampholytic IDP, emphasizing the importance of sequence-specific effects on both aggregation and dissociation. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=180529158 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/polym16202928 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 17 StartPage: 2928 Subjects: – SubjectFull: Polyampholytes Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Dimerization Type: general – SubjectFull: Cell physiology Type: general – SubjectFull: Dimers Type: general Titles: – TitleFull: Kinetics of Polyampholyte Dimerization: Influence of Charge Sequences. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kim, Seowon – PersonEntity: Name: NameFull: Lee, Nam-Kyung – PersonEntity: Name: NameFull: Jung, Youngkyun – PersonEntity: Name: NameFull: Johner, Albert IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 10 Text: Oct2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 20734360 Numbering: – Type: volume Value: 16 – Type: issue Value: 20 Titles: – TitleFull: Polymers (20734360) Type: main |
| ResultId | 1 |
