Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach

Shaun T Mutter; Francois Zielinski; James R Cheeseman; Christian Johannessen; Paul L A Popelier; Ewan W Blanch

doi:10.1039/c4cp05517a

Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach

Shaun T Mutter, Francois Zielinski, James R Cheeseman, Christian Johannessen, Paul L A Popelier, Ewan W Blanch

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	6016-6027
Number of pages	12
Journal	Physical Chemistry Chemical Physics
Volume	17
Issue number	8
DOIs	https://doi.org/10.1039/c4cp05517a
Publication status	Published - 2015

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10.1039/c4cp05517a

http://pubs.rsc.org/en/content/articlepdf/2015/cp/c4cp05517a

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Mutter, S. T., Zielinski, F., Cheeseman, J. R., Johannessen, C., Popelier, P. L. A., & Blanch, E. W. (2015). Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach. Physical Chemistry Chemical Physics, 17(8), 6016-6027. https://doi.org/10.1039/c4cp05517a

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title = "Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach",

author = "Mutter, {Shaun T} and Francois Zielinski and Cheeseman, {James R} and Christian Johannessen and Popelier, {Paul L A} and Blanch, {Ewan W}",

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Mutter, ST, Zielinski, F, Cheeseman, JR, Johannessen, C, Popelier, PLA & Blanch, EW 2015, 'Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach', Physical Chemistry Chemical Physics, vol. 17, no. 8, pp. 6016-6027. https://doi.org/10.1039/c4cp05517a

Conformational dynamics of carbohydrates: Raman optical activity of D-glucuronic acid and N-acetyl-D-glucosamine using a combined molecular dynamics and quantum chemical approach. / Mutter, Shaun T; Zielinski, Francois; Cheeseman, James R et al.
In: Physical Chemistry Chemical Physics, Vol. 17, No. 8, 2015, p. 6016-6027.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

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AU - Mutter, Shaun T

AU - Zielinski, Francois

AU - Cheeseman, James R

AU - Johannessen, Christian

AU - Popelier, Paul L A

AU - Blanch, Ewan W

N1 - Times Cited: 4 Johannessen, Christian/D-3721-2014 Johannessen, Christian/0000-0003-2613-9476 0 4 1463-9084

PY - 2015

Y1 - 2015

U2 - 10.1039/c4cp05517a

DO - 10.1039/c4cp05517a

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SN - 1463-9084

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EP - 6027

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 8

ER -