Large-Scale Molecular Dynamics Simulations of Cellular Compartments.
Sign Up to like & getrecommendations! Published in 2021 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1394-8_18
Abstract: Molecular dynamics or MD simulation is gradually maturing into a tool for constructing in vivo models of living cells in atomistic details. The feasibility of such models is bolstered by integrating the simulations with data… read more here.
Keywords: large scale; simulations cellular; molecular dynamics; cellular compartments ... See more keywords
Large-scale molecular epidemiological analysis of AAV in a cancer patient population
Sign Up to like & getrecommendations! Published in 2021 at "Oncogene"
DOI: 10.1038/s41388-021-01725-5
Abstract: Recombinant adeno-associated viruses (rAAVs) are well-established vectors for delivering therapeutic genes. However, previous reports have suggested that wild-type AAV is linked to hepatocellular carcinoma, raising concern with the safety of rAAVs. In addition, a recent… read more here.
Keywords: large scale; aav; carcinoma; aav cancer ... See more keywords
Multi-scale molecular dynamics simulations and applications on mechanosensitive proteins of integrins
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Physics B"
DOI: 10.1088/1674-1056/abc540
Abstract: Molecular dynamics simulation (MDS) is a powerful technology for investigating evolution dynamics of target proteins, and it is used widely in various fields from materials to biology. This mini-review introduced the principles, main preforming procedures,… read more here.
Keywords: scale molecular; multi scale; dynamics simulations; molecular dynamics ... See more keywords
Dockey: a modern integrated tool for large-scale molecular docking and virtual screening
Sign Up to like & getrecommendations! Published in 2023 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbad047
Abstract: Molecular docking is a structure-based and computer-aided drug design approach that plays a pivotal role in drug discovery and pharmaceutical research. AutoDock is the most widely used molecular docking tool for study of protein-ligand interactions… read more here.
Keywords: molecular docking; tool; virtual screening; large scale ... See more keywords
Linking the small-scale relativistic winds and the large-scale molecular outflows in the z = 1.51 lensed quasar HS 0810+2554
Sign Up to like & getrecommendations! Published in 2020 at "Monthly Notices of the Royal Astronomical Society"
DOI: 10.1093/mnras/staa1534
Abstract: We present Atacama Large Millimeter/submillimeter Array (ALMA) observations of the quadruply lensed z=1.51 quasar HS 0810+2554 which provide useful insight on the kinematics and morphology of the CO molecular gas and the ~2 mm continuum… read more here.
Keywords: large scale; quasar 0810; lensed quasar; scale molecular ... See more keywords