Results 11 to 20 of about 126,162 (305)
Modeling, Stability Analysis, and Testing of a Hybrid Docking Simulator
CoRR, 2013 A hybrid docking simulator is a hardware-in-the-loop (HIL) simulator that includes a hardware element within a numerical simulation loop. One of the goals of performing a HIL simulation at the European Proximity Operation Simulator (EPOS) is the ...
Boge, T., Choukroun, D., Zebenaya, M.
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An introduction to biomolecular simulations and docking [PDF]
Molecular Simulation, 2014 The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given biomolecule also samples (and is sampled by) a rapidly fluctuating local environment comprised of other biopolymers, small
Mura, Cameron, McAnany, Charles E.
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Biology, 2022 Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) causes coronavirus disease 2019 (COVID-19), an infectious disease that spreads rapidly in humans. In March 2020, the World Health Organization (WHO) declared a COVID-19 pandemic.
Alfonso Trezza +4 more
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Molecules, 2021 To confirm that the β-phenyl-α,β-unsaturated thiocarbonyl (PUSTC) scaffold, similar to the β-phenyl-α,β-unsaturated carbonyl (PUSC) scaffold, acts as a core inhibitory structure for tyrosinase, twelve (Z)-5-(substituted benzylidene)-4-thioxothiazolidin-2-
Heejeong Choi +15 more
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Characterization of ACE Inhibitory Peptides Prepared from Pyropia pseudolinearis Protein
Marine Drugs, 2021 More than 7000 red algae species have been classified. Although most of them are underused, they are a protein-rich marine resource. The hydrolysates of red algal proteins are good candidates for the inhibition of the angiotensin-I-converting enzyme (ACE)
Yuya Kumagai +7 more
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Docking fundamentals for simulation in nanoscience
Disciplinarum Scientia - Ciências Naturais e Tecnológicas, 2021 This work reviews the literature on the molecular docking process, presenting the simulation methodology, the construction parameters and how the results are interpreted. In this context, a study of molecular docking is carried out using the binding protein of the COVID-19 virus with the human cell, called spike, and an antiviral molecule called ...
Mirkos Ortiz Martins +3 more
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Location of the hydrophobic pocket in the binding site of fentanyl analogs in the µ-opioid receptor [PDF]
Journal of the Serbian Chemical Society, 2007 Fentanyl is a highly potent and clinically widely used narcotic analgesic. The synthesis of its analogs remains a challenge in an attempt to develop highly selective µ-opioid receptor agonists with specific pharmacological properties.
Došen-Mićović Ljiljana +2 more
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Hydroxamic Acid as a Potent Metal-Binding Group for Inhibiting Tyrosinase
Antioxidants, 2022 Tyrosinase, a metalloenzyme containing a dicopper cofactor, plays a central role in synthesizing melanin from tyrosine. Many studies have aimed to identify small-molecule inhibitors of tyrosinase for pharmaceutical, cosmetic, and agricultural purposes ...
Joonhyeok Choi +3 more
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Bicyclic Basic Merbarone Analogues as Antiproliferative Agents
Molecules, 2021 Pyrimido-pyrimidine derivatives have been developed as rigid merbarone analogues. In a previous study, these compounds showed potent antiproliferative activity and efficiently inhibited topoisomerase IIα.
Andrea Spallarossa +5 more
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Molecules, 2022 Thirteen compounds were isolated from the Canavalia lineata pods and their inhibitory activities against human monoamine oxidase-A (hMAO-A) and -B (hMAO-B) were evaluated.
Jong Min Oh +9 more
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