How to learn from inconsistencies: Integrating molecular simulations with experimental data.
Sign Up to like & getrecommendations! Published in 2020 at "Progress in molecular biology and translational science"
DOI: 10.1016/bs.pmbts.2019.12.006
Abstract: Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modeling tool to… read more here.
Keywords: experiments used; molecular simulations; learn inconsistencies; integrating molecular ... See more keywords
Integrating Molecular Networking and Biological Assays To Target the Isolation of a Cytotoxic Cyclic Octapeptide, Samoamide A, from an American Samoan Marine Cyanobacterium.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of natural products"
DOI: 10.1021/acs.jnatprod.6b00907
Abstract: Integrating LC-MS/MS molecular networking and bioassay-guided fractionation enabled the targeted isolation of a new and bioactive cyclic octapeptide, samoamide A (1), from a sample of cf. Symploca sp. collected in American Samoa. The structure of… read more here.
Keywords: octapeptide samoamide; cytotoxic; cyclic octapeptide; molecular networking ... See more keywords
Integrating molecular nuclear imaging in clinical research to improve anticancer therapy
Sign Up to like & getrecommendations! Published in 2018 at "Nature Reviews Clinical Oncology"
DOI: 10.1038/s41571-018-0123-y
Abstract: Effective patient selection before or early during treatment is important to increasing the therapeutic benefits of anticancer treatments. This selection process is often predicated on biomarkers, predominantly biospecimen biomarkers derived from blood or tumour tissue;… read more here.
Keywords: imaging clinical; research; imaging biomarkers; integrating molecular ... See more keywords
Integrating molecular probes and molecular dynamics to reveal binding modes of GLUT5 activatory and inhibitory ligands.
Sign Up to like & getrecommendations! Published in 2018 at "Chemical communications"
DOI: 10.1039/c8cc04843f
Abstract: Fructose transporter GLUT5 is characterized by unusual substrate specificity and is linked to a variety of metabolic disorders. A series of high-affinity GLUT5-specific sugar-based probes - ManCous - have been very recently described and efficiently… read more here.
Keywords: reveal binding; molecular dynamics; probes molecular; integrating molecular ... See more keywords