参考文献:Ferreira, L.G.; Dos Santos, R.N.; Oliva, G.; Andricopulo, A.D. Molecular Docking and Structure-Based Drug Design Strategies.Molecules.2015,20:13384-13421.https://doi.org/10.3390/molecules200713384引用高达842(截至2023.6.10) 药物研究已经成功地结合了丰富的分子建模方法研究复杂的生物和...
As per in terms of new medicine discovery, designing and binding of small molecules (ligand) with DNA, RNA, or protein (target) is the key step, defined as docking. Docking actively identifies specific hit from large data libraries through simple rigid or flexible docking approaches with the ...
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. Bioactive substance
Book description Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The ... read full description Purchase book Share this book Purchase institutional access Browse...
Molecular docking is a computational method used in drug design that predicts the interaction between a protein target and a small molecule, helping to understand and predict molecular recognition. From: Progress in Medicinal Chemistry, 2021
Molecular-Docking-Based Drug Design and Discovery: Rational Drug Design for the Subtype Selective GPCR Ligands 来自 Semantic Scholar 喜欢 0 阅读量: 30 作者: SK Kim 摘要: Currently 30-50% of drug targets are G Protein-Coupled Receptors (GPCRs). However, the clinical useful drugs for targeting...
In recent years, molecular docking has emerged as an imp ortant technology in the field of computer-aided drug research, includi ng database searching, combinatorial library design and protein-protein interaction investigation.关键词: Molecular docking Structure-ba sed drug design Computer-aided drug ...
Molecular docking 来自 NCBI 喜欢 0 阅读量: 1200 作者:GM Morris,M Lim-Wilby 摘要: Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein ...
Using molecular docking study a specific sense siRNA is identified as anti allergic drug to treat allergic asthma during immediate type of hypersensitivity reaction, caused by Zea m 1 pollen allergen. 展开 DOI: 10.4018/978-1-5225-0362-0.ch009 ...
Molecular docking is a widely-employed method in structure-based drug design. An essential component of molecular docking programs is a scoring function (SF) that can be used to identify the most stable binding pose of a ligand, when bound to a receptor protein, from among a large set of ...