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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00885
Abstract: The structure of a protein is of great importance in determining its functionality, and this characteristic can be leveraged to train data-driven prediction models. However, the limited number of available protein structures severely limits the…
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Keywords:
protein structures;
predicted structures;
function prediction;
alphafold predicted ... See more keywords
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Published in 2020 at "CrystEngComm"
DOI: 10.1039/c9ce01841g
Abstract: Full comparison of the experimentally determined crystal structure of the levofloxacin anhydrous α form from single-crystal X-ray diffraction with all the predicted structures from the CSP approach was supplemented. The previous conclusion in regard to…
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Keywords:
crystengcomm;
predicted structures;
reply comment;
comment polymorphism ... See more keywords
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Published in 2022 at "Nucleic Acids Research"
DOI: 10.1093/nar/gkac828
Abstract: Abstract AlloMAPS 2 is an update of the Allosteric Mutation Analysis and Polymorphism of Signalling database, which contains data on allosteric communication obtained for predicted structures in the AlphaFold database (AFDB) and trRosetta-predicted Pfam domains.…
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Keywords:
predicted structures;
allomaps allosteric;
design;
trrosetta predicted ... See more keywords