Zobrazeno 1 - 10
of 45 346
pro vyhledávání: '"Molecular Dynamics Simulations"'
Publikováno v:
Anti-Corrosion Methods and Materials, 2024, Vol. 71, Issue 6, pp. 663-675.
Externí odkaz:
http://www.emeraldinsight.com/doi/10.1108/ACMM-04-2024-3006
Autor:
Seema Shetty, Swagatika Dash, Avinash Kumar, Shashidhar Vishwanath, Suvarna G. Kini, Angela Brand
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-18 (2024)
Abstract Chlamydia trachomatis (CT) remains a significant infectious cause of blindness and sexually transmitted infections worldwide. The objective and novelty of this study lie in using different serovars of CT to design a broad-spectrum multi-epit
Externí odkaz:
https://doaj.org/article/bd5b69d6b9d1443e9e1942e9f7bd0117
Autor:
Man Thi Hong Nguyen, Mario Vazdar
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 3897-3905 (2024)
This study employs molecular dynamics (MD) simulations to investigate the adsorption and aggregation behavior of simple polyarginine cell-penetrating peptides (CPPs), specifically modeled as R9 peptides, at zwitterionic phosphocholine POPC membranes
Externí odkaz:
https://doaj.org/article/c9275b3b704048dda8cfc05a74aa01f5
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 2669-2679 (2024)
HIV-1 can rapidly infect the brain upon initial infection, establishing latent reservoirs that induce neuronal damage and/or death, resulting in HIV-Associated Neurocognitive Disorder. Though anti-HIV-1 antiretrovirals (ARVs) suppress viral load, the
Externí odkaz:
https://doaj.org/article/16081dd8318742cfaf5225af558840bb
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 2516-2533 (2024)
Lysosomes are pivotal in cellular functions and disease, influencing cancer progression and therapy resistance with Acid Sphingomyelinase (ASM) governing their membrane integrity. Moreover, cation amphiphilic drugs (CADs) are known as ASM inhibitors
Externí odkaz:
https://doaj.org/article/767cf6c72d4a4d5eb0a076fabe3fd06c
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 25, Iss , Pp 91-94 (2024)
The study of cyclic peptides (CPs) and self-assembling cyclic peptide nanotubes (SCPNs) is pivotal in advancing applications in diverse fields such as biomedicine, nanoelectronics, and catalysis. Recognizing the limitations in the experimental study
Externí odkaz:
https://doaj.org/article/4361f916a58f4e7384b53a60a91659f7
Rational design of monomeric IL37 variants guided by stability and dynamical analyses of IL37 dimers
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1854-1863 (2024)
IL37 plays important roles in the regulation of innate immunity and its oligomeric status is critical to these roles. In its monomeric state, IL37 can effectively inhibit the inflammatory response of IL18 by binding to IL18Rα, a capacity lost in its
Externí odkaz:
https://doaj.org/article/895bd76b02e24ab0b70bbdf4a5b226cc
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1311-1319 (2024)
Somatostatin receptors (SSTRs) are widely distributed throughout the human body and play crucial roles in various physiological processes. They are recognized as key targets for both radiotherapy and radiodiagnosis due to their overexpression in seve
Externí odkaz:
https://doaj.org/article/bf4cb9a65b0b41a1a3ea388b258a515a
Autor:
Michelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, Jochen S. Hub, Massimiliano Anselmi
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1169-1180 (2024)
SHP2 is a tyrosine phosphatase that plays a regulatory role in multiple intracellular signaling cascades and is known to be oncogenic in certain contexts. In the absence of effectors, SHP2 adopts an autoinhibited conformation with its N-SH2 domain bl
Externí odkaz:
https://doaj.org/article/0029acf72ec94573abd1f3e2e607cb5f
Autor:
Elisa Fagnani, Francesco Bonì, Pierfausto Seneci, Davide Gornati, Luca Muzio, Eloise Mastrangelo, Mario Milani
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1088-1093 (2024)
The stabilization of the retromer protein complex can be effective in the treatment of different neurological disorders. Following the identification of bis-1,3-phenyl guanylhydrazone 2a as an effective new compound for the treatment of amyotrophic l
Externí odkaz:
https://doaj.org/article/1cd32817805240faa098c6e2c29a04ba