Results 41 to 50 of about 277,604 (297)
Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors
Journal of the Turkish Chemical Society, Section A: Chemistry, 2019 Four ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina).
Nevin Arslan
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Journal of Molecular Docking, 2022 Lymphatic filariasis and onchocerciasis are two common filarial diseases caused by a group of parasitic nematodes called filarial worms, which co-habit with the bacteria organism Wolbachia.
Fabian Audu Ugbe +3 more
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In Silico Approach: Effect of the Oxidation Iron State (Heme-Group) in Steroidogenesis Pathways
Journal of Molecular Docking, 2022 One of the main design features of enzyme regulators for the CYPs is the presence of a heme-group and different oxidation states in iron atoms. The selective inhibition of a CYP-enzyme can help to reduce the formation of steroidal molecules that causes ...
David Mora-Martinez +4 more
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, 2023 Accurate prediction of protein-ligand complex structures is a crucial step in structure-based drug design. Traditional molecular docking methods exhibit limitations in terms of accuracy and sampling space, while relying on machine-learning approaches may
Yannan, Yuan +7 more
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Journal of Algorithms & Computational Technology, 2019 The main objective of molecular docking is to find a model of interaction between a protein and ligand with a minimum binding energy. This process is driven by intricate algorithms and scoring functions.
Yi Fu, Juan Mei, Ji Zhao
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Journal of Molecular Docking, 2022 VlsE is the key enzyme in antibacterial and suicide antigenic variation. While the vlsE of Borrelia burgdorferi sensu lato complex causes Lyme disease. Therefore, vlsE is considered a significant drug target for Lyme disease. In this paper, we report the
Venu Paritala +2 more
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Journal of Molecular Docking, 2021 Corona Virus Disease 2019 (COVID-19) is a new strain of coronavirus called SARS-CoV-2, which was identified in Wuhan, China, in December 2019. The rapid transmission of COVID-19 from human to human forced researchers to find a potent drug by setting ...
Baiq Ressa Puspita Rizma +2 more
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, 2021 Molecular docking describe the “best-fit” orientation of a ligand (lead) that binds to a particular target of ...
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Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 2 December 2021
Journal of Molecular Docking, 2021 Assalamu’alaikum Wr. Wb. Alhamdulillahirabbil ‘alamin. After a long wait for almost one year from the first planned, the new scientific journal of the Department of Pharmacy Universitas Muhammadiyah Palangkaraya can be published. This scientifc journal
Chief Editor of J Mol Docking
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Building Science Gateways for Analysing Molecular Docking Results Using a Generic Framework and Methodology [PDF]
, 2020 Molecular docking and virtual screening experiments require large computational and data resources and high-level user interfaces in the form of science gateways.
Kiss, T. +3 more
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