Results 31 to 40 of about 391,445 (298)
Whey-derived peptides interactions with ACE by molecular docking as a potential predictive tool of natural ACE inhibitors [PDF]
, 2020 Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been ...
Chamata, Yara +2 more
core +1 more source
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
doaj +1 more source
The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]
, 2018 Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N +6 more
core +2 more sources
Benchmarking Sets for Molecular Docking [PDF]
Journal of Medicinal Chemistry, 2006 Ligand enrichment among top-ranking hits is a key metric of molecular docking. To avoid bias, decoys should resemble ligands physically, so that enrichment is not simply a separation of gross features, yet be chemically distinct from them, so that they are unlikely to be binders.
Niu, Huang +2 more
openaire +2 more sources
Molecular docking with Gaussian Boson Sampling [PDF]
Science Advances, 2020 Photonic quantum devices called Gaussian Boson Samplers can be programmed to predict molecular docking configurations.
Leonardo Banchi +4 more
openaire +4 more sources
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
doaj +1 more source
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
doaj +1 more source
Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems [PDF]
, 2018 A huge amount of genetic information is available thanks to the recent advances in sequencing technologies and the larger computational capabilities, but the interpretation of such genetic data at phenotypic level remains elusive.
Barradas-Bautista, Didier +3 more
core +2 more sources
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
doaj +1 more source
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
doaj +1 more source