Collapse transition of a heterogeneous polymer in a crowded medium

2021 ◽  
Vol 155 (5) ◽  
pp. 054902
Author(s):  
Youngkyun Jung ◽  
Bae-Yeun Ha
Keyword(s):  
Collapse Transition ◽  
Heterogeneous Polymer

Sequence Specificity Despite Intrinsic Disorder: How a Disease-Associated Val/Met Polymorphism Shifts Tertiary Interactions in a Long Disordered Protein

2019 ◽  
Author(s):  
Ruchi Lohia ◽  
Reza Salari ◽  
Grace Brannigan
Keyword(s):  
Secondary Structure ◽  
Electrostatic Interactions ◽  
Intrinsically Disordered Proteins ◽  
Disordered Proteins ◽  
Sequence Specificity ◽  
Intrinsically Disordered ◽  
Specific Effects ◽  
Heterogeneous Polymer ◽  
Non Local ◽  
Dynamics Simulations

<div>The role of electrostatic interactions and mutations that change charge states in intrinsically disordered proteins (IDPs) is well-established, but many disease-associated mutations in IDPs are charge-neutral. The Val66Met single nucleotide polymorphism (SNP) encodes a hydrophobic-to-hydrophobic mutation at the midpoint of the prodomain of precursor brain-derived neurotrophic factor (BDNF), one of the earliest SNPs to be associated with neuropsychiatric disorders, for which the underlying molecular mechanism is unknown. Here we report on over 250 μs of fully-atomistic, explicit solvent, temperature replica exchange molecular dynamics simulations of the 91 residue BDNF prodomain, for both the V66 and M66 sequence.</div><div>The simulations were able to correctly reproduce the location of both local and non-local secondary changes due to the Val66Met mutation when compared with NMR spectroscopy. We find that the local structure change is mediated via entropic and sequence specific effects. We show that the highly disordered prodomain can be meaningfully divided into domains based on sequence alone. Monte Carlo simulations of a self-excluding heterogeneous polymer, with monomers representing each domain, suggest the sequence would be effectively segmented by the long, highly disordered polyampholyte near the sequence midpoint. This is qualitatively consistent with observed interdomain contacts within the BDNF prodomain, although contacts between the two segments are enriched relative to the self-excluding polymer. The Val66Met mutation increases interactions across the boundary between the two segments, due in part to a specific Met-Met interaction with a Methionine in the other segment. This effect propagates to cause the non-local change in secondary structure around the second methionine, previously observed in NMR. The effect is not mediated simply via changes in inter-domain contacts but is also dependent on secondary structure formation around residue 66, indicating a mechanism for secondary structure coupling in disordered proteins. </div>

scholarly journals Regulating the Self‐Discharge of Flexible All‐Solid‐State Supercapacitors by a Heterogeneous Polymer Electrolyte (Small 31/2021)

Small ◽  
2021 ◽  
Vol 17 (31) ◽  
pp. 2170160
Author(s):  
Xue Wang ◽  
Yanan Liu ◽  
Huili Li ◽  
Tian Lv ◽  
Jun Wan ◽  
...  
Keyword(s):  
Solid State ◽  
Polymer Electrolyte ◽  
The Self ◽  
Heterogeneous Polymer

Collapse transition in thin films of poly(methoxydiethylenglycol acrylate)

2011 ◽  
Vol 289 (5-6) ◽  
pp. 569-581 ◽  
Author(s):  
Qi Zhong ◽  
Weinan Wang ◽  
Joseph Adelsberger ◽  
Anastasia Golosova ◽  
Achille M. Bivigou Koumba ◽  
...  
Keyword(s):  
Thin Films ◽  
Collapse Transition

Pressure-Induced Collapse Transition in BaTi2Pn2O (Pn = As, Sb) with an Unusual Pn–Pn Bond Elongation

2021 ◽  
Vol 60 (4) ◽  
pp. 2228-2233
Author(s):  
Takafumi Yamamoto ◽  
Takeshi Yajima ◽  
Zhi Li ◽  
Takateru Kawakami ◽  
Kousuke Nakano ◽  
...  
Keyword(s):  
Collapse Transition

Structure and mechanical properties of heterogeneous polymer blends

1995 ◽  
Vol 55 (10) ◽  
pp. 1375-1383 ◽  
Author(s):  
M. Kozlowski
Keyword(s):  
Mechanical Properties ◽  
Polymer Blends ◽  
Heterogeneous Polymer

Development of knotting during the collapse transition of polymers

2007 ◽  
Vol 127 (24) ◽  
pp. 244902 ◽  
Author(s):  
Marc L. Mansfield
Keyword(s):  
Collapse Transition

The collapse transition of branched polymers on a fractal lattice

1988 ◽  
Vol 153 (1) ◽  
pp. 179-187
Author(s):  
Dragica Knežević
Keyword(s):  
Branched Polymers ◽  
Collapse Transition ◽  
Fractal Lattice

Unsolved problems in the theory of dynamics in homogeneous and heterogeneous polymer networks

2001 ◽  
Vol 171 (1) ◽  
pp. 69-78 ◽  
Author(s):  
Yuli Ya. Gotlib ◽  
Andrew A. Gurtovenko
Keyword(s):  
Polymer Networks ◽  
Heterogeneous Polymer
Sign in / Sign up

Export Citation Format

Share Document