Výsledky vyhledávání - "Dinh Quoc Huy, Pham"

Akademický článek

Treatment of flexibility of protein backbone in simulations of protein–ligand interactions using steered molecular dynamics

Autor: Duc Toan Truong, Kiet Ho, Dinh Quoc Huy Pham, Mateusz Chwastyk, Thai Nguyen-Minh, Minh Tho Nguyen

Publikováno v: Scientific Reports, Vol 14, Iss 1, Pp 1-15 (2024)

Abstract To ensure that an external force can break the interaction between a protein and a ligand, the steered molecular dynamics simulation requires a harmonic restrained potential applied to the protein backbone. A usual practice is that all or a

Externí odkaz: https://doaj.org/article/050bd4fea8084aaaafe7a45dcb64ea65

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Akademický článek

The coexistence region in the Van der Waals fluid and the liquid-liquid phase transitions

Autor: Dinh Quoc Huy Pham, Mateusz Chwastyk, Marek Cieplak

Publikováno v: Frontiers in Chemistry, Vol 10 (2023)

Cellular membraneless organelles are thought to be droplets formed within the two-phase region corresponding to proteinaceous systems endowed with the liquid-liquid transition. However, their metastability requires an additional constraint—they ari

Externí odkaz: https://doaj.org/article/ac3aae0039b34c70b2a024caa24f9ce1

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Zinc binding promotes greater hydrophobicity inAlzheimer's Aβ42peptide than copper binding: Molecular dynamics and solvation thermodynamics studies

Autor: Boopathi, Subramanian, Dinh Quoc Huy, Pham, Gonzalez, Wendy, Theodorakis, Panagiotis E., Li, Mai Suan

Publikováno v: PROTEINS: Structure, Function, and Bioinformatics

The aggregation of Aβ42 peptides is considered as one of the main causes for the development of Alzheimer's disease. In this context, Zn2+ and Cu2+ play a significant role in regulating the aggregation mechanism, due to changes in the structural and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76fe60c966704a31752f88173d4f0867
https://doi.org/10.1002/prot.25901

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Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane

Autor: Giovanni La Penna, Paweł Krupa, Mai Suan Li, Dinh Quoc Huy Pham, Hoang Linh Nguyen

Publikováno v: The journal of physical chemistry. B (1997 : Online) 124 (2020): 3300–3314. doi:10.1021/acs.jpcb.0c00771
info:cnr-pdr/source/autori:Huy Pham D.Q.; Krupa P.; Nguyen H.L.; La Penna G.; Li M.S./titolo:Computational Model to Unravel the Function of Amyloid-? Peptides in Contact with a Phospholipid Membrane/doi:10.1021%2Facs.jpcb.0c00771/rivista:The journal of physical chemistry. B (1997 : Online)/anno:2020/pagina_da:3300/pagina_a:3314/intervallo_pagine:3300–3314/volume:124

Divalent cations have a strong impact on the properties of phospholipid membranes, where amyloid-? peptides exert effects related to possible functional or pathological roles. In this work, we use an atomistic computational model of dimyristoyl-phosp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44140beb595abf9b21f3b910e6eb3db9
https://pubmed.ncbi.nlm.nih.gov/32212625

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Copper Binding Induces Polymorphism in Amyloid-? Peptide: Results of Computational Models

Autor: Dinh Quoc Huy Pham, Mai Suan Li, Giovanni La Penna

Publikováno v: The journal of physical chemistry. B 122 (2018): 7243–7252. doi:10.1021/acs.jpcb.8b03983
info:cnr-pdr/source/autori:Pham D.Q.H.; Li M.S.; La Penna G./titolo:Copper Binding Induces Polymorphism in Amyloid-? Peptide: Results of Computational Models/doi:10.1021%2Facs.jpcb.8b03983/rivista:The journal of physical chemistry. B/anno:2018/pagina_da:7243/pagina_a:7252/intervallo_pagine:7243–7252/volume:122

Amyloid-beta (Abeta) peptides are intrinsically disordered peptides, and their aggregation is the hallmark of Alzheimer's disease development. The propensity of the Abeta peptide to intermolecular interactions, the latter favoring different types of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5799faff2c1c8a996a8934d781094bc1
http://www.cnr.it/prodotto/i/392708

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Akademický článek

Zinc binding promotes greater hydrophobicity in Alzheimer's Aβ42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies.

Autor: Boopathi, Subramanian, Dinh Quoc Huy, Pham, Gonzalez, Wendy, Theodorakis, Panagiotis E., Li, Mai Suan

Publikováno v: Proteins; Oct2020, Vol. 88 Issue 10, p1285-1302, 18p

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