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Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach.
J Comput Chem. 2019 Sep 5;40(23):2043-2052. doi: 10.1002/jcc.25859. Epub 2019 May 17.
J Comput Chem. 2019.
PMID: 31099907
Free PMC article.
Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems.
Kitakawa CK, Maruyama T, Oonari J, Mitsuta Y, Kawakami T, Okumura M, Yamaguchi K, Yamanaka S.
Kitakawa CK, et al.
Molecules. 2019 Feb 25;24(4):821. doi: 10.3390/molecules24040821.
Molecules. 2019.
PMID: 30823580
Free PMC article.
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