(Q31791630)

English

Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C.

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Europe PubMed Central

PubMed publication ID

3 July 2017

Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C. (English)

1 reference

Europe PubMed Central

PubMed publication ID

3 July 2017

1 reference

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author name string

Momany FA

1

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Europe PubMed Central

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3 July 2017

Willett JL

2

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3 July 2017

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1 June 2000

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Europe PubMed Central

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3 July 2017

Carbohydrate Research

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Europe PubMed Central

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3 July 2017

326

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3 July 2017

3

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Europe PubMed Central

PubMed publication ID

3 July 2017

210-226

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Europe PubMed Central

PubMed publication ID

3 July 2017

Computational studies on carbohydrates: in vacuo studies using a revised AMBER force field, AMB99C, designed for alpha-(1-->4) linkages

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

A molecular mechanical force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Man alpha 1-3Man beta 1-4GlcNAc

1 reference

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7 January 2021

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

A Monte Carlo method for conformational analysis of saccharides.

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Long-range carbon-proton coupling constants: application to conformational studies of oligosaccharides

1 reference

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7 January 2021

Crystal structure of a new alpha-cyclodextrin hydrate form. Molecular geometry and packing features: disordered solvent contribution

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Applications of Computational Chemistry to the Study of Cyclodextrins

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

A molecular dynamics simulation of crystalline alpha-cyclodextrin hexahydrate

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Conformational differences between alpha-cyclodextrin in aqueous solution and in crystalline form. A molecular dynamics study.

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Structures of the Common Cyclodextrins and Their Larger Analogues-Beyond the Doughnut.

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Conformational space of alpha 1-4 glycosidic linkage: a molecular dynamics study

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Crystal structure of the gamma-cyclodextrin n-propanol inclusion complex; correlation of alpha-, beta-, gamma- cyclodextrin geometries

1 reference

https://api.crossref.org/works/10.1016%2FS0008-6215%2800%2900043-4

7 January 2021

Identifiers

10.1016/S0008-6215(00)00043-4

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Europe PubMed Central

PubMed publication ID

3 July 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

3 July 2017

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