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Journal of Biomolecular Structure and Dynamics Volume 38, 2020 - Issue 3
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Research Articles

Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer’s disease: key insights from molecular dynamics simulations

Suniba ShuaibDepartment of Chemistry, Faculty of Basic and Applied Sciences, Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, India;
,
Rajneet Kaur SainiDepartment of Chemistry, Faculty of Basic and Applied Sciences, Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, India;
,
Deepti GoyalDepartment of Chemistry, Faculty of Basic and Applied Sciences, Sri Guru Granth Sahib World University, Fatehgarh Sahib, Punjab, India;
&
Bhupesh GoyalSchool of Chemistry & Biochemistry, Thapar Institute of Engineering & Technology, Patiala, Punjab, IndiaCorrespondence[email protected] [email protected]
Pages 708-721 | Received 21 Sep 2018, Accepted 20 Feb 2019, Published online: 02 Apr 2019

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Moulay Ahfid El Alaouy, Marwa Alaqarbeh, Mohamed Ouabane, Hanane Zaki, Mohamed ElBouhi, Hassan Badaoui, Youness Moukhliss, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi & Mohammed Bouachrine. (2023) Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Farzane Abasi Joozdani & Majid Taghdir. (2021) A molecular dynamics investigation on transporting mechanism of glucose through a cyclic peptide nanotube. Journal of Biomolecular Structure and Dynamics 39:6, pages 2230-2241.
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Zeyaul Islam, Mohamed H. Ali, Anton Popelka, Raghvendra Mall, Ehsan Ullah, Janarthanan Ponraj & Prasanna R. Kolatkar. (2021) Probing the fibrillation of lysozyme by nanoscale-infrared spectroscopy. Journal of Biomolecular Structure and Dynamics 39:4, pages 1481-1490.
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Elena Sthephanie Castro-Silva, Martiniano Bello, Martha Cecilia Rosales-Hernández, José Correa-Basurto, Maricarmen Hernández-Rodríguez, Daniel Villalobos-Acosta, Juan Vicente Méndez-Méndez, Alan Estrada-Pérez, Jesus Murillo-Álvarez & Mauricio Muñoz-Ochoa. (2021) Fucosterol from Sargassum horridum as an amyloid-beta (Aβ1-42) aggregation inhibitor: in vitro and in silico studies. Journal of Biomolecular Structure and Dynamics 39:4, pages 1271-1283.
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Hanping Wang, Ruoyao Xiong & Luhua Lai. (2023) Rational drug design targeting intrinsically disordered proteins. WIREs Computational Molecular Science 13:6.
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Ashish Shrivastava, Kartavya Mathur, Rohit Kumar Verma, Sri Krishna Jayadev Magani, Deepak Krishna Vyas & Ashutosh Singh. (2022) Molecular dynamics study of tropical calcific pancreatitis (TCP) associated calcium-sensing receptor single nucleotide variation. Frontiers in Molecular Biosciences 9.
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Rachel Prins, Peter Windsor, Bill R. MillerIIIIII & Stephanie Maiden. (2022) Alleles of unc‐33 /CRMP exhibit defects during Caenorhabditis elegans epidermal morphogenesis . Developmental Dynamics 251:10, pages 1741-1753.
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Umut Gerlevik, Mahmut Cerkez Ergoren, Osman Uğur Sezerman & Sehime Gulsun Temel. (2022) Structural analysis of M1AP variants associated with severely impaired spermatogenesis causing male infertility . PeerJ 10, pages e12947.
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Yuwei Tian, Limin Zhang, Fangjie Liu, Minxuan Wang, Lingyun Li, Mingmei Guo, Hangyu Xu, Zhiying Yu & Weizhi Wang. (2021) Multi-stage responsive peptide nanosensor: Anchoring EMT and mitochondria with enhanced fluorescence and boosting tumor apoptosis. Biosensors and Bioelectronics 184, pages 113235.
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Nidhi Sorout & Amalendu Chandra. (2020) Effects of Boron Nitride Nanotube on the Secondary Structure of Aβ(1–42) Trimer: Possible Inhibitory Effect on Amyloid Formation. The Journal of Physical Chemistry B 124:10, pages 1928-1940.
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Albert W. PilkingtonIVIV, Jane Schupp, Morgan Nyman, Stephen J. Valentine, David M. Smith & Justin Legleiter. (2019) Acetylation of Aβ 40 Alters Aggregation in the Presence and Absence of Lipid Membranes . ACS Chemical Neuroscience 11:2, pages 146-161.
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