Thermodynamics calculation of protein-ligand interactions by QM/MM polarizable charge parameters (Q41245086)

28 September 2017

title

Thermodynamics calculation of protein-ligand interactions by QM/MM polarizable charge parameters (English)

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28 September 2017

4

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28 September 2017

Jinan Wang

1

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28 September 2017

Qiang Shao

2

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28 September 2017

Benjamin P Cossins

3

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28 September 2017

Kaixian Chen

5

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28 September 2017

Weiliang Zhu

6

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28 September 2017

publication date

11 March 2015

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Journal of Biomolecular Structure and Dynamics

28 September 2017

published in

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28 September 2017

volume

34

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28 September 2017

issue

1

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28 September 2017

page(s)

163-176

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The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding

28 September 2017

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A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands

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Application of a polarizable force field to calculations of relative protein-ligand binding affinities

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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10.1080/07391102.2015.1019928

21 January 2018

Identifiers

DOI

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28 September 2017

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