Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics (Q35541836)

8 August 2017

title

Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics (English)

1 reference

8 August 2017

Evan J Arthur

1

1 reference

8 August 2017

Joseph D Yesselman

series ordinal

2

1 reference

8 August 2017

Charles L Brooks

series ordinal

3

1 reference

8 August 2017

language of work or name

English

0 references

publication date

15 October 2011

1 reference

8 August 2017

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8 August 2017

volume

79

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8 August 2017

issue

12

1 reference

8 August 2017

page(s)

3276-3286

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

8 August 2017

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Predicting pKa values with continuous constant pH molecular dynamics

27 July 2018

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Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease

27 July 2018

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27 July 2018

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27 July 2018

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Structural basis of perturbed pKa values of catalytic groups in enzyme active sites

27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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NMR relaxation studies of the unfolding and refolding of staphylococcal nuclease at low pH.

27 July 2018

1 reference

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Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

27 July 2018

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27 July 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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Toward accurate prediction of pKa values for internal protein residues: the importance of conformational relaxation and desolvation energy.

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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PubMed

https://pubmed.ncbi.nlm.nih.gov/22002886

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Constant-pH molecular dynamics using continuous titration coordinates

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22002886

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/PROT.23195

1 reference

8 August 2017

1 reference

8 August 2017

1 reference