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Accurate ab Initio Study on the Hydrogen-Bond Pairs in Protein Secondary Structures

Ab initio calculations up to the MP2/aug-cc-pVQZ//MP2/6-311+G** level have been carried out to characterize the four patterns of hydrogen-bond (H-bond) pairs in protein secondary structures. The unblocked and methyl-blocked glycine dipeptide dimers were arranged to model the H-bond pairs in α-helix...

詳細記述

保存先:
書誌詳細
出版年:J Chem Theory Comput
主要な著者: Wang, Zhi-Xiang, Wu, Chun, Lei, Hongxing, Duan, Yong
フォーマット: Artigo
言語:Inglês
出版事項: 2007
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC4515431/
https://ncbi.nlm.nih.gov/pubmed/26221082
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct700021f
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