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

Original language	English
Publication date	16 Jun 2022
Publication status	Published - 16 Jun 2022

Keywords

• Cyclodextrin

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Activities

Activities per year 2022 2022 2022

• 1 Conference organisation or participation

Activities per year

• 20th International Cyclodextrin Symposium

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

  13 Jun 2022 → 17 Jun 2022

  Activity: Attending an event › Conference organisation or participation

Research output

Research output per year 2022 2022 2022

• 1 Preprint

Research output per year

Research output per year

• 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 p. (ChemRxiv).

  Research output: Working paper/Preprint › Preprint

  • Ensemble Simulation 100%
  • All-atom Molecular Dynamics Simulation 100%
  • Cyclodextrin 100%
  • Dynamics 100%
  • Kirschner 16%

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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.

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

@conference{7b6733ac0b8445a391856a353be9643e,

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",

language = "English",

}

Steinmann, C, Nygaard-Thomsen, S, Stokholm, TRB, Munk, JT & Langhorn, M 2022, 'Simulations of hydroxypropyl-β-cyclodextrin complexes by extending the GLYCAM06 force field'.

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

Research output: Contribution to conference without publisher/journal › Poster › Research

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

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.