Evidence map›Paper›PMID 38110299›Full record

ArticleBiomacromolecules2024

Computational Prediction of Coiled-Coil Protein Gelation Dynamics and Structure.

Dustin Britton, Luc F Christians, Chengliang Liu, Jakub Legocki, Yingxin Xiao, Michael Meleties, Lin Yang, Michael Cammer, Sihan Jia, Zihan Zhang and 7 more

Erratum issuedAbstract read
In one paragraph

Article in Biomacromolecules, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

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4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

17 authors.

Dustin BrittonDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Luc F ChristiansDepartment of Chemical and Biological Engineering, Colorado School of Mines, Golden, Colorado 80401, United States.
Chengliang LiuDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Jakub LegockiDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Yingxin XiaoDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Michael MeletiesDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Lin YangNational Synchrotron Light Source-II, Brookhaven National Laboratory, Upton, New York 11973, United States.
Michael CammerMicroscopy Laboratory, New York University Langone Health, New York, New York 10016, United States.
Sihan JiaDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Zihan ZhangDepartment of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, United States.
Farbod MahmoudinobarDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Zuzanna KowalskiDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
P Douglas RenfrewDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Richard BonneauDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.
Darrin J PochanDepartment of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, United States.ORCID 0000-0002-0454-2339
Alexander J PakDepartment of Chemical and Biological Engineering, Colorado School of Mines, Golden, Colorado 80401, United States.ORCID 0000-0003-2823-6480
Jin Kim MontclareDepartment of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.ORCID 0000-0001-6857-3591

Funding

Vaccine FacilityP30CA016087 · NCI · NEW YORK UNIVERSITY SCHOOL OF MEDICINE · PI ANIRBAN MAITRA · 1985 to 2026
$83.1M
X-ray Scattering Technology CoreP30GM133893 · NIGMS · BROOKHAVEN SCIENCE ASSOC-BROOKHAVEN LAB · PI Sean McSweeney · 2019 to 2026
$38.6M
A Simultaneous SAXS/WAXS Detector System for Solving Biological StructuresS10OD012331 · OD · STATE UNIVERSITY NEW YORK STONY BROOK · PI ALLAIRE, MARC · 2012 to 2012
$1.1M
NCI NIH HHS P30 CA016087NIGMS NIH HHS P30 GM133893NIH HHS S10 OD012331
6 · The paper itself

Abstract

Protein hydrogels represent an important and growing biomaterial for a multitude of applications, including diagnostics and drug delivery. We have previously explored the ability to engineer the thermoresponsive supramolecular assembly of coiled-coil proteins into hydrogels with varying gelation properties, where we have defined important parameters in the coiled-coil hydrogel design. Using Rosetta energy scores and Poisson-Boltzmann electrostatic energies, we iterate a computational design strategy to predict the gelation of coiled-coil proteins while simultaneously exploring five new coiled-coil protein hydrogel sequences. Provided this library, we explore the impact of in silico energies on structure and gelation kinetics, where we also reveal a range of blue autofluorescence that enables hydrogel disassembly and recovery. As a result of this library, we identify the new coiled-coil hydrogel sequence, Q5, capable of gelation within 24 h at 4 °C, a more than 2-fold increase over that of our previous iteration Q2. The fast gelation time of Q5 enables the assessment of structural transition in real time using small-angle X-ray scattering (SAXS) that is correlated to coarse-grained and atomistic molecular dynamics simulations revealing the supramolecular assembling behavior of coiled-coils toward nanofiber assembly and gelation. This work represents the first system of hydrogels with predictable self-assembly, autofluorescent capability, and a molecular model of coiled-coil fiber formation.

Indexed as

Molecular Dynamics SimulationProteinsHydrogelsScattering, Small AngleX-Ray DiffractionHydrogelsProteins

Identifiers

PMID38110299
PMCPMC10777397

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.