(Q34306134)

1 August 2017

title

Free energy surfaces for the interaction of D-glucose with planar aromatic groups in aqueous solution (English)

1 reference

1 August 2017

Udo Schnupf

2

0 references

author name string

Jakob Wohlert

series ordinal

1

1 reference

1 August 2017

John W Brady

series ordinal

3

1 reference

1 August 2017

language of work or name

English

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publication date

1 October 2010

1 reference

Journal of Chemical Physics

1 August 2017

published in

1 reference

1 August 2017

volume

133

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1 August 2017

issue

15

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1 August 2017

page(s)

155103

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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

1 August 2017

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1 reference

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

6 July 2018

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6 July 2018

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6 July 2018

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The three-dimensional crystal structure of the catalytic core of cellobiohydrolase I from Trichoderma reesei

6 July 2018

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Role of diffusion in ligand binding to macromolecules and cell-bound receptors

6 July 2018

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Aromatic-carbohydrate interactions: an NMR and computational study of model systems.

6 July 2018

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Calculation of absolute protein-ligand binding affinity using path and endpoint approaches

21 January 2018

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THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

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Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populations

21 January 2018

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21 January 2018

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21 January 2018

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A comparison of methods to compute the potential of mean force

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20969429

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3496997

1 reference

1 August 2017

1 reference

1 August 2017

1 reference