Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field. (Q33726866)

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21 January 2020

title

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field (English)

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21 January 2020

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1

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21 January 2020

Alex MacKerell

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21 January 2020

author name string

Troy W Whitfield

2

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21 January 2020

Edward Harder

3

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21 January 2020

Guillaume Lamoureux

4

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21 January 2020

Igor Vorobyov

5

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21 January 2020

Victor M Anisimov

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21 January 2020

Benoît Roux

8

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21 January 2020

publication date

1 January 2010

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Journal of Chemical Theory and Computation

21 January 2020

published in

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volume

6

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21 January 2020

issue

3

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21 January 2020

page(s)

774-786

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A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge models

21 January 2020

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields

21 June 2018

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21 June 2018

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Metal ions and RNA folding: a highly charged topic with a dynamic future

21 June 2018

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Principles governing Mg, Ca, and Zn binding and selectivity in proteins.

21 June 2018

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Structure of the gating domain of a Ca2+-activated K+ channel complexed with Ca2+/calmodulin

21 June 2018

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Canonical dynamics: Equilibrium phase-space distributions

21 June 2018

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Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study

21 June 2018

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Crystal structure of a group I ribozyme domain: principles of RNA packing

21 June 2018

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21 June 2018

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21 June 2018

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12 December 2020

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Identifiers

DOI

10.1021/CT900576A

1 reference

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21 January 2020

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21 January 2020

PubMed publication ID

20300554

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