Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation-Reference-Cited by-同舟云学术

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Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation

Published:2021-01-07 Issue: Volume: Page:1-13
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Ugbaja Samuel C.¹,Appiah-Kubi Patrick²,Lawal Monsurat M.¹,Gumede Nelisiwe S.¹,Kumalo Hezekiel M.¹

Affiliation:

1. Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban, South Africa

2. Discipline of Pharmaceutical Sciences, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1869099

Reference68 articles.

1. Statistical Analysis on the Performance of Molecular Mechanics Poisson–Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study

2. Steered Molecular Dynamics Simulations of a Type IV Pilus Probe Initial Stages of a Force-Induced Conformational Transition

3. Density‐functional thermochemistry. III. The role of exact exchange

4. Molecular dynamics with coupling to an external bath

5. Improved Force Field Parameters Lead to a Better Description of RNA Structure

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1. Protein aggregation and neurodegenerative disease: Structural outlook for the novel therapeutics;Proteins: Structure, Function, and Bioinformatics;2023-08-02

2. Mechanistic insights into the allosteric inactivation mechanism of ZAP-70 induced by the hot spot W165C mutation;Journal of Biomolecular Structure and Dynamics;2023-07-28

3. Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation;Molecules;2023-03-14

4. Small-molecule drugs development for Alzheimer's disease;Frontiers in Aging Neuroscience;2022-11-01

5. Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative;ChemistrySelect;2022-10-19

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