Tetrapeptide Conformations Database
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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.
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figshare创建时间：
2023-05-20
