Results 11 to 20 of about 391,445 (298)
Progress in molecular docking [PDF]
Quantitative Biology, 2019 BackgroundIn recent years, since the molecular docking technique can greatly improve the efficiency and reduce the research cost, it has become a key tool in computer‐assisted drug design to predict the binding affinity and analyze the interactive mode.ResultsThis study introduces the key principles, procedures and the widely‐used applications for ...
Jiyu Fan, Ailing Fu, Le Zhang
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In Silico Anti-Inflammation Prediction of Glycyrrhiza Extracts Against Covid-19
Journal of Molecular Docking, 2021 Due to its anti-inflammation effect, Glycyrrhiza extract is one of the natural extracts that may potentially combat coronavirus disease in 2019 (COVID-19).
Mansoureh Nazari
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Docking Challenge: Protein Sampling and Molecular Docking Performance [PDF]
Journal of Chemical Information and Modeling, 2013 Computational tools are essential in the drug design process, especially in order to take advantage of the increasing numbers of solved X-ray and NMR protein-ligand structures. Nowadays, molecular docking methods are routinely used for prediction of protein-ligand interactions and to aid in selecting potent molecules as a part of virtual screening of ...
Khaled M, Elokely, Robert J, Doerksen
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Scientific Reports, 2023 Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, it has developed into a formidable tool for drug development.
P. C. Agu +7 more
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Journal of Molecular Docking, 2021 Authors have found an error in the previous version (Shamkh, IM, & Pratiwi, D. (2021). Development of SARS-CoV-2 Inhibitors Using Molecular Docking Study with Different Coronavirus Spike Protein and ACE2. Journal of Molecular Docking, 1(1), 1-14. https://
Israa Mohamed Shamkh +2 more
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Structure-activity relationships of fluorene compounds inhibiting HCV variants [PDF]
, 2020 Approximately 71 million people suffer from hepatitis C virus (HCV) infection worldwide. Persistent HCV infection causes liver diseases such as chronic hepatitis, liver cirrhosis, and hepatocellular carcinoma, resulting in approximately 400,000 deaths ...
Gadhe, Changdev G. +10 more
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Journal of Molecular Docking, 2021 The novel coronavirus SARS-CoV-2 is an acute respiratory tract infection that emerged in Wuhan city, China. The spike protein of coronaviruses is the main driving force for host cell recognition and is responsible for binding to the ACE2 receptor on the ...
Israa Mohamed Shamkh, Dina Pratiwi
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DockPro: A VR-Based Tool for Protein-Protein Docking Problem [PDF]
, 2008 Proteins are large molecules that are vital for all living organisms and they are essential components of many industrial products. The process of binding a protein to another is called protein-protein docking.
Balcısoy, Selim +7 more
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Journal of Molecular Docking, 2022 The difficulty in treating cancer resides in targeting abnormal proliferation while protecting normal proliferation, necessitating a thorough comprehension of the normal and malignant mechanisms that promote cell growth and proliferation.
Tope Abraham Ibisanmi +5 more
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Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA [PDF]
, 2015 Indexación: Web of Science; Scopus.Non-peptidic thrombin inhibitors (TIs; 177 compounds) with diverse groups at motifs P1 (such as oxyguanidine, amidinohydrazone, amidine, amidinopiperidine), P2 (such as cyano-fluorophenylacetamide, 2-(2-chloro-6 ...
Caballero, J. +2 more
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