Preparing a database of corrected protein structures important in cell signaling pathways.

Research in pharmaceutical sciences(2023)

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摘要
A collection of 1001 proteins were modified for some defects such as adjustment of the bond orders and formal charges, and addition of missing side chains of residues. Homology modeling corrected the amino missing backbone residues. This database will be completed for quite a lot of water-soluble proteins to be uploaded to the internet.
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关键词
Homology modeling,Molecular dynamics simulation,PDB,Protein database,Protein structure
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