Tetrapeptide Conformations Database
收藏Figshare2023-05-20 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Tetrapeptide_Conformations_Database/22985237/1
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资源简介：
High-level quantum chemical calculations have been carried out for biologically-relevant conformers of tetrapeptides. Our results indicate potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size. Efficient alternatives are discussed. This work generates a database of highly accurate CCSD(T)/CBS conformational energies for tetrapeptides.
提供机构：
Karton, Amir
创建时间：
2023-05-20
