Bioisosteric Replacements Extracted from HighâQuality Structures in the Protein Databank
Sign Up to like & getrecommendations! Published in 2018 at "ChemMedChem"
DOI: 10.1002/cmdc.201700679
Abstract: Bioisosterism is an important concept in the lead optimisation phase of drug discovery where the aim is to make modifications to parts of a molecule in order to improve some properties while maintaining others. We… read more here.
Keywords: extracted high; replacements extracted; bioisosteric replacements; high quality ... See more keywords
pyFoldX: enabling biomolecular analysis and engineering along structural ensembles.
Sign Up to like & getrecommendations! Published in 2022 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btac072
Abstract: AVAILABILITY Recent years have seen an increase in the number of structures available, not only for new proteins but also for the same protein crystallized with different molecules and proteins. While protein design software have… read more here.
Keywords: analysis; analysis engineering; pyfoldx enabling; biomolecular analysis ... See more keywords