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Items: 11

1.

Preferred conformation of the glycosidic linkage of methyl-beta-mannose.

Coskuner O.

J Chem Phys. 2007 Jul 7;127(1):015101.

PMID:
17627368
2.

The diluted aqueous solvation of carbohydrates as inferred from molecular dynamics simulations and NMR spectroscopy.

Engelsen SB, Monteiro C, Hervé de Penhoat C, Pérez S.

Biophys Chem. 2001 Nov 28;93(2-3):103-27. Review.

PMID:
11804720
3.

Investigating biological systems using first principles Car-Parrinello molecular dynamics simulations.

Dal Peraro M, Ruggerone P, Raugei S, Gervasio FL, Carloni P.

Curr Opin Struct Biol. 2007 Apr;17(2):149-56. Epub 2007 Apr 6. Review.

PMID:
17419051
4.

Ab initio molecular dynamics with density functional theory.

Tse JS.

Annu Rev Phys Chem. 2002;53:249-90. Epub 2001 Oct 4. Review.

PMID:
11972009
5.

Molecular dynamics simulation of the aqueous solvation of sugars.

Brady JW, Ha SN.

Adv Exp Med Biol. 1991;302:739-51. Review.

PMID:
1746361
6.

[Computation techniques in the conformational analysis of carbohydrates].

Gebst AG, Grachev AA, Shashkov AS, Nifant'ev NE.

Bioorg Khim. 2007 Jan-Feb;33(1):28-43. Review. Russian.

PMID:
17375657
7.

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics.

Nagata Y, Ohto T, Backus EH, Bonn M.

J Phys Chem B. 2016 Apr 28;120(16):3785-96. doi: 10.1021/acs.jpcb.6b01012. Epub 2016 Apr 8. Review.

PMID:
27010817
8.

Force fields and scoring functions for carbohydrate simulation.

Xiong X, Chen Z, Cossins BP, Xu Z, Shao Q, Ding K, Zhu W, Shi J.

Carbohydr Res. 2015 Jan 12;401:73-81. doi: 10.1016/j.carres.2014.10.028. Epub 2014 Nov 8. Review.

PMID:
25464084
9.

Probing the atomic interactions between proteins and carbohydrates.

Quiocho FA.

Biochem Soc Trans. 1993 May;21(2):442-8. Review. No abstract available.

PMID:
8359506
10.

Carbohydrates.

Cocinero EJ, Çarçabal P.

Top Curr Chem. 2015;364:299-333. doi: 10.1007/128_2014_596. Review.

PMID:
25667011
11.

Structure and dynamics of water surrounding biomolecules.

Saenger W.

Annu Rev Biophys Biophys Chem. 1987;16:93-114. Review. No abstract available.

PMID:
3297093

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