Inclusion Complexes of Chain Molecules with Cycloamyloses III. Molecular Dynamics Simulations of Polyrotaxanes Formed by Poly(propylene glycol) and β-Cyclodextrins

Javier Pozuelo; Francisco Mendicuti; Wayne L Mattice

doi:10.1295/polymj.30.479

Inclusion Complexes of Chain Molecules with Cycloamyloses III. Molecular Dynamics Simulations of Polyrotaxanes Formed by Poly(propylene glycol) and β-Cyclodextrins

Polymer Journal ◽

10.1295/polymj.30.479 ◽

1998 ◽

Vol 30 (6) ◽

pp. 479-484 ◽

Cited By ~ 27

Author(s):

Javier Pozuelo ◽

Francisco Mendicuti ◽

Wayne L Mattice

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Propylene Glycol ◽

Inclusion Complexes ◽

Chain Molecules ◽

Dynamics Simulations ◽

Poly Propylene

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Inclusion Complexes of Chain Molecules with Cycloamyloses. 2. Molecular Dynamics Simulations of Polyrotaxanes Formed by Poly(ethylene glycol) and α-Cyclodextrins

Macromolecules ◽

10.1021/ma961270y ◽

1997 ◽

Vol 30 (12) ◽

pp. 3685-3690 ◽

Cited By ~ 47

Author(s):

Javier Pozuelo ◽

Francisco Mendicuti ◽

Wayne L. Mattice

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

Poly Ethylene Glycol ◽

Chain Molecules ◽

Poly Ethylene ◽

Dynamics Simulations

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Raman scattering from systems of linear chain molecules (poly(propylene oxide)) of different lengths: A comparison with molecular dynamics simulations

Philosophical Magazine B ◽

10.1080/13642819808204998 ◽

1998 ◽

Vol 77 (2) ◽

pp. 709-716 ◽

Cited By ~ 2

Author(s):

A. Brodin ◽

L. M. Torell ◽

P. Ahlström ◽

G. Wahnström

Keyword(s):

Molecular Dynamics ◽

Raman Scattering ◽

Molecular Dynamics Simulations ◽

Propylene Oxide ◽

Linear Chain ◽

Chain Molecules ◽

Dynamics Simulations ◽

Poly Propylene

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Raman scattering from systems of linear chain molecules (poly(propylene oxide)) of different lengths: a comparison with molecular dynamics simulations

Philosophical Magazine B ◽

10.1080/014186398259806 ◽

1998 ◽

Vol 77 (2) ◽

pp. 709-716 ◽

Cited By ~ 3

Author(s):

A. Brodin, L. M. Torell, P. Ahlstrom,

Keyword(s):

Molecular Dynamics ◽

Raman Scattering ◽

Molecular Dynamics Simulations ◽

Propylene Oxide ◽

Linear Chain ◽

Chain Molecules ◽

Dynamics Simulations ◽

Poly Propylene

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Molecular Dynamics Simulations of Model Chain Molecules and Aggregates Including Surfactants and Micelles / Molekulardynamische Simulationen an kettenförmigen Molekülen und Aggregaten als Modelle für Tenside und Mizellen

Tenside Surfactants Detergents ◽

10.1515/tsd-1993-300404 ◽

1993 ◽

Vol 30 (4) ◽

pp. 235-242

Author(s):

S. Karaborni ◽

J. P. O’Connell

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chain Molecules ◽

Dynamics Simulations ◽

Model Chain

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Molecular dynamics simulations on inclusion complexes for chiral enantiomers with heterocyclic cyclodecapeptide

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.10.020 ◽

2014 ◽

Vol 1027 ◽

pp. 46-52 ◽

Cited By ~ 5

Author(s):

Yanyan Zhu ◽

Mingqiong Tong ◽

Chunmei Liu ◽

Chen Song ◽

Donghui Wei ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

Dynamics Simulations

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Determination of NMR Lineshape Anisotropy of Guest Molecules within Inclusion Complexes from Molecular Dynamics Simulations

ChemPhysChem ◽

10.1002/cphc.200700805 ◽

2008 ◽

Vol 9 (6) ◽

pp. 911-919 ◽

Cited By ~ 23

Author(s):

Saman Alavi ◽

Peter Dornan ◽

Tom K. Woo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

Guest Molecules ◽

Dynamics Simulations

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Insights on self-aggregation phenomena of 1-indanone thiosemicarbazones and the formation of inclusion complexes with hydroxypropyl-β-cyclodextrin by Molecular Dynamics simulations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.07.109 ◽

2016 ◽

Vol 222 ◽

pp. 963-971

Author(s):

M. Florencia Martini ◽

Romina J. Glisoni ◽

Alejandro Sosnik ◽

Albertina Moglioni ◽

Mónica Pickholz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

Dynamics Simulations ◽

Self Aggregation ◽

Aggregation Phenomena

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High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of α- and β-cyclodextrins with the cognition activator 3-phenoxypyridine sulphate (CI-844)

Magnetic Resonance in Chemistry ◽

10.1002/(sici)1097-458x(199810)36:10<693::aid-omr354>3.0.co;2-x ◽

1998 ◽

Vol 36 (10) ◽

pp. 693-705 ◽

Cited By ~ 14

Author(s):

Maria E. Amato ◽

Kenny B. Lipkowitz ◽

Giuseppe M. Lombardo ◽

Giuseppe C. Pappalardo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

High Field ◽

Spectroscopic Techniques ◽

Dynamics Simulations

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Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in aqueous solution

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2012.08.004 ◽

2012 ◽

Vol 47 (4) ◽

pp. 752-758 ◽

Cited By ~ 10

Author(s):

Kanokthip Boonyarattanakalin ◽

Peter Wolschann ◽

Pisanu Toochinda ◽

Luckhana Lawtrakul

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulations ◽

Inclusion Complexes ◽

Dynamics Simulations

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Molecular dynamics simulations of homogeneous nucleation of liquid phase in highly supersaturated propylene glycol vapors

Journal of Aerosol Science ◽

10.1016/j.jaerosci.2020.105743 ◽

2020 ◽

pp. 105743

Author(s):

Sergey N. Maximoff ◽

Ali Salehi ◽

Ali A. Rostami

Keyword(s):

Molecular Dynamics ◽

Liquid Phase ◽

Molecular Dynamics Simulations ◽

Propylene Glycol ◽

Homogeneous Nucleation ◽

Dynamics Simulations

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