Works (8)
Updated: July 5th, 2023 15:40
2021 journal article
On the liquid demixing of water plus elastin-like polypeptide mixtures: bimodal re-entrant phase behaviour
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23(10), 5936–5944.
MeSH headings : Computer Simulation; Elastin / chemistry; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Models, Molecular; Peptides / chemistry; Phase Transition; Solvents / chemistry; Thermodynamics; Transition Temperature
TL;DR:
The observation of bimodal LCSTs and two re-entrant LLE regions herald a new type of binary global phase diagram: Type XII, which resembles a protein pressure denaturation diagram in aqueous solution.
(via Semantic Scholar)
pubs.rsc.org (publisher PDF)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 5, 2021
2017 journal article
Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the beta-solenoid structure formed by a silk-like polypeptide
PLOS COMPUTATIONAL BIOLOGY, 13(3).
MeSH headings : Models, Chemical; Molecular Dynamics Simulation; Peptides / chemistry; Protein Conformation; Protein Domains; Protein Folding; Protein Unfolding; Silk / chemistry; Silk / ultrastructure
TL;DR:
This study shows that a molecule in a stack of two β roll molecules unfolds in a step-wise fashion mainly from the C terminal, and the bottom template is found to play an important role in stabilizing the β roll structure of the molecule on top by strengthening the hydrogen bonds in the layer that it contacts.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid
SOFT MATTER, 12(16), 3721–3729.
MeSH headings : Amino Acid Motifs; Amyloid beta-Peptides / chemistry; Animals; Humans; Hydrogen Bonding; Nuclear Magnetic Resonance, Biomolecular; Protein Folding; Silk / chemistry
TL;DR:
Ground state analysis as well as atomic-level molecular dynamics simulations are performed, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the Hydrophobic shell configuration is the most stable one.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
LCST Behavior is Manifested in a Single Molecule: Elastin-Like polypeptide (VPGVG)n
BIOMACROMOLECULES, 17(1), 111–118.
Contributors: C. Hall n , Y. Yingling n , N. Li n & n
MeSH headings : Cold Temperature; Elastin / chemistry; Hydrogen Bonding; Oligopeptides / chemistry; Peptides / chemistry; Pharmaceutical Solutions / chemistry; Transition Temperature; Water / chemistry
TL;DR:
Simulation of the physical origin of the lower critical solution temperature (LCST) behavior of elastin-like polypeptides (ELPs) finds evidence for properties changes associated with LCST behavior in a single molecule by performing long atomic-level molecular dynamics simulation on the ELP sequences for four different length peptides over a wide range of temperatures.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Probe the Binding Mode of Aristololactam-beta-D-glucoside to Phenylalanine Transfer RNA in Silico
CHEMISTRYSELECT, 1(17), 5430–5439.
author keywords: Aristololactam-beta-D-glucoside; Binding of drug molecule and RNA; Molecular docking and simulations; Molecular recognition mechanism; Phenylalanine transfer RNA
TL;DR:
An integrated computational strategy combining quantum mechanics calculation, molecular docking and atomistic molecular dynamics simulation was present in this work, and it was identified that the aristololactam of ADG provides binding specificity to the tRNAPhe, and the D-glucoce contributes to the affinity for binding with the tRNA.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Simulation study of the ability of a computationally-designed peptide to recognize target tRNA(Lys3) and other decoy tRNAs
PROTEIN SCIENCE, 25(12), 2243–2255.
author keywords: binding uniqueness; target tRNA(Lys3) UUU; binding of RNA and peptide; molecular recognition mechanism
MeSH headings : Humans; Molecular Dynamics Simulation; Peptides / chemistry; RNA, Transfer, Lys / chemistry; Thermodynamics
TL;DR:
Results indicated that Pept10 recognizes and binds to the target ASLLys3 through residues W3 and R7 which interact with the nucleotides mcm5s2U34, U35, and ms2t6A37 via the interchain VDW energy.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2015 journal article
Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 1. Layer thickness of a curved monolayer
CHEMICAL PHYSICS LETTERS, 633, 58–64.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 2. Domain adjustment in a curved bilayer
CHEMICAL PHYSICS LETTERS, 639, 326–334.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
Citation Index includes data from a number of different sources. If you have questions about the sources of data in the Citation Index or need a set of data which is free to re-distribute, please contact us.
Certain data included herein are derived from the Web of Science© and InCites© (2024) of Clarivate Analytics. All rights reserved. You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.
