Results 31 to 40 of about 277,604 (297)
Journal of Molecular Docking, 2022 The rising prevalence of diabetes necessitates continued research into natural antidiabetic medicines that target a key biochemical enzyme involved.
Damilola Samuel Bodun +3 more
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Journal of Molecular Docking, 2021 The severe acute respiratory syndrome coronavirus 2, known as COVID-19, has been hideously increased worldwide. The disease began in Wuhan, China, around December 2019, then spread to most countries.
Israa Mohamed Shamkh +3 more
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Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening
, 2023 Over the last few years, machine learning (ML) and deep learning (DL) have been revolutionising the computer-aided drug discovery landscape. With the recent availability of the so-called ultra-large virtual libraries (libraries with up to billions of ...
Eduardo, Krempser +4 more
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New Approach to create an Effective Natural Treatments of Infections caused by Human Papillomavirus
Journal of Molecular Docking, 2021 Human Papillomavirus (HPV) has a double-stranded DNA (dsDNA) genome. Infections, mainly sexually transmitted, usually resolve spontaneously. However, if the infection persists over time, lesions of the skin and mucous membranes tend to appear, notably ...
Momir Dunjic +8 more
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Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation [PDF]
, 2014 Cholinesterase inhibitors (ChE-Is) are the standard for the therapy of AD associated disorders and are the only class of approved drugs by the Food and Drug Administration (FDA).
Kuldeep Uchadia +5 more
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GNINA 1.0: Molecular Docking with Deep Learning
, 2021 Molecular docking computationally predicts the conformation of a small molecule when binding to a receptor. Scoring functions are a vital piece of any molecular docking pipeline as they determine the fitness of sampled poses.
Matthew, Ragoza +7 more
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Journal of Molecular Docking, 2021 The Indian Traditional Medicines System has long used Siddha polyherbal formulations for different viral diseases. The ingredients of these formulas have been proven to be antiviral.
Logesh Kumar Selvaraj +3 more
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Conceptual Framework and Methodology for Analysing Previous Molecular Docking Results [PDF]
, 2019 Modern drug discovery relies on in-silico computational simulations such as molecular docking. Molecular docking models biochemical interactions to predict where and how two molecules would bind.
Temelkovski, D.
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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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Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects
Journal of Molecular Docking, 2021 Recently, the application of molecular docking is drastically increasing due to the rapid growth of resolved crystallographic receptors with co-crystallized ligands. However, the inability of docking softwares to correctly score the occurred interactions
Emilio Viktorov Mateev +3 more
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