Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field

Originalsprog	Engelsk
Publikationsdato	16 jun. 2022
DOI	https://doi.org/10.26434/chemrxiv-2022-d3m6p-v2
Status	Udgivet - 16 jun. 2022

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• 10.26434/chemrxiv-2022-d3m6p-v2Licens: CC BY 4.0

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• 1 Organisering af eller deltagelse i konference

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• 20th International Cyclodextrin Symposium

  Casper Steinmann (Deltager), Kim Lambertsen Larsen (Deltager) & Parisa Fereidounpour (Deltager)

  13 jun. 2022 → 17 jun. 2022

  Aktivitet: Deltagelse i faglig begivenhed › Organisering af eller deltagelse i konference

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Publikationer pr. år 2022 2022 2022

• 1 Preprint

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Publikationer pr. år

• Ensemble Simulations of 2-Hydroxypropyl-β-cyclodextrin Complexes with All-Atom Molecular Dynamics Simulations

  Munk, J. T., Stokholm, T. R. B., Nygaard-Thomsen, S., Rosander Langhorn, M. & Steinmann, C., 2022, 27 s. (ChemRxiv).

  Publikation: Working paper/Preprint › Preprint

  • Statistical Ensemble 100%
  • Cyclodextrin 100%
  • Atom 100%
  • Simulation 100%
  • Molecular Dynamics 100%

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Steinmann, C., Nygaard-Thomsen, S., Stokholm, T. R. B., Munk, J. T., & Langhorn, M. (2022). Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field. https://doi.org/10.26434/chemrxiv-2022-d3m6p-v2

Steinmann, Casper ; Nygaard-Thomsen, Simon ; Stokholm, Thorleif Riis Bay et al. / Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field.

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title = "Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field",

keywords = "Cyclodextrin",

author = "Casper Steinmann and Simon Nygaard-Thomsen and Stokholm, {Thorleif Riis Bay} and Munk, {Jeppe Tv{\ae}rmose} and Mads Langhorn",

year = "2022",

month = jun,

day = "16",

doi = "10.26434/chemrxiv-2022-d3m6p-v2",

language = "English",

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Steinmann, C, Nygaard-Thomsen, S, Stokholm, TRB, Munk, JT & Langhorn, M 2022, 'Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field'. https://doi.org/10.26434/chemrxiv-2022-d3m6p-v2

Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field. / Steinmann, Casper; Nygaard-Thomsen, Simon; Stokholm, Thorleif Riis Bay et al.
2022.

Publikation: Konferencebidrag uden forlag/tidsskrift › Poster › Forskning

TY - CONF

T1 - Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field

AU - Steinmann, Casper

AU - Nygaard-Thomsen, Simon

AU - Stokholm, Thorleif Riis Bay

AU - Munk, Jeppe Tværmose

AU - Langhorn, Mads

PY - 2022/6/16

Y1 - 2022/6/16

KW - Cyclodextrin

U2 - 10.26434/chemrxiv-2022-d3m6p-v2

DO - 10.26434/chemrxiv-2022-d3m6p-v2

M3 - Poster

ER -

Steinmann C, Nygaard-Thomsen S, Stokholm TRB, Munk JT, Langhorn M. Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field. 2022. doi: 10.26434/chemrxiv-2022-d3m6p-v2