New dynamic scoring method for deep evaluation of naloxegol as β-tubulin binding inhibitor
New dynamic scoring method for deep evaluation of naloxegol as β-tubulin binding inhibitor
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Publisher
Pakistan
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Language
English
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Publisher
Pakistan
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Contents
We report a new scoring method for rating the performance of ligands on same protein, using their extensive dynamic flexibility properties, binding with protein and impact on receptor protein. Based on molecular dynamics (MD), this method is more accurate than single-point energy calculations. This method identified an ideal FDA-approved drug as β-...
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Full title
New dynamic scoring method for deep evaluation of naloxegol as β-tubulin binding inhibitor
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TN_cdi_proquest_miscellaneous_3113746268
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_3113746268
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ISSN
1011-601X
DOI
10.36721/PJPS.2024.37.5.REG.949-959.1
