Search Results for "Homology Docking"
Original Source: Protein kinases: docking and homology modeling reliability.
A database of about 700 high-resolution kinase structures was used to test the reliability of 17 docking procedures (using six docking software packages) by means of self- and cross-docking studies. The analysis of about 80 000 docking calculations suggests that the docking of an unknown ligand into a kinase has a probability of only 30-37% to be a correct ligand pose. However, based on the hypothesis that docking calculations are more reliable if the ligand to be docked is similar to the ligand present in...
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Insulin like Growth Factor 1 Receptor IGF 1R
Although the insulin-like growth factor-1 receptor (IGF-1R) was first cloned in 1986, it was the success of targeted drugs such as trastuzumab and imatinib that tyrosine kinase inhibitors and growth...
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A new study found that a surgical procedure known as the “docking technique” to repair a torn elbow ligament in teenage athletes yielded favorable results.
CLC bio acquires drug discovery software company Molegro
CLC bio has acquired Molegro, a specialised software company focusing on molecular docking, including prediction and analysis of protein-ligand interactions, screening of compound databases for activi...
Teen Baseball Players Benefit From Docking Technique To Repair Torn Elbow Ligament
A study at Hospital for Special Surgery (HSS) found that a surgical procedure known as the "docking technique" to repair a torn elbow ligament in teenage athletes yielded favorable results. The outcom...
Type: Original PaperThe present study aims to design hepatic targeted curcumin (CUR) nanoparticles using Gantrez (GZ) as a polymer. Three carbohydrate-based hepatocyte asialoglycoprotein receptor (ASG...
Docking technique to repair torn elbow ligament yields favorable results in teen baseball players
(Hospital for Special Surgery) A study at Hospital for Special Surgery found that a surgical procedure known as the "docking technique" to repair a torn elbow ligament in teenage athletes yielded favo...
CLC bio Acquires the Drug Discovery-Software Company Molegro
Today, CLC bio announced the acquisition of Molegro, a specialized software company focusing on molecular docking, including prediction and analysis of protein-ligand interactions...
Matching PubMed Articles
Homology Models in Docking and High-Throughput Docking.
The use of homology models in docking-based drug discovery is already established, and provides an effective and computationally affordable alternative whenever experimental structures are not availab...
Protein kinases: docking and homology modeling reliability.
A database of about 700 high-resolution kinase structures was used to test the reliability of 17 docking procedures (using six docking software packages) by means of self- and cross-docking studies. T...
The transient receptor potential vanilloid subtype 1 (TRPV1) is a non-selective cation channel composed of four monomers with six transmembrane helices (TM1-TM6). TRPV1 is found in the central and per...
Thiazolidinedione-Based PI3Kα Inhibitors: An Analysis of Biochemical and Virtual Screening Methods.
A series of synthesized and commercially available compounds were assessed against PI3Kα for in vitro inhibitory activity and the results compared to binding calculated in silico. Using published cry...
Opioid receptors are the principal targets for opioids, which have been used as analgesics for centuries. Opioid receptors belong to the rhodopsin family of G-protein coupled receptors (GPCRs). In the...
