(Q47900273)

6 February 2018

title

pK(a) calculations along a bacteriorhodopsin molecular dynamics trajectory (English)

1 reference

6 February 2018

author name string

Sandberg L

series ordinal

1

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6 February 2018

Edholm O

series ordinal

2

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6 February 2018

publication date

1 April 1997

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6 February 2018

published in

Biophysical Chemistry

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6 February 2018

volume

65

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6 February 2018

issue

2-3

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6 February 2018

page(s)

189-204

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6 February 2018

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Calculation of electrostatic potentials in an enzyme active site

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Environmental effects on the protonation states of active site residues in bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Computational studies of the early intermediates of the bacteriorhodopsin photocycle

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Multiple-site titration curves of proteins: an analysis of exact and approximate methods for their calculation

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

On the calculation of pKas in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Interpretation of protein titration curves. Application to lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Structure and Fluctuations of Bacteriorhodopsin in the Purple Membrane: A Molecular Dynamics Study

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

From femtoseconds to biology: mechanism of bacteriorhodopsin's light-driven proton pump

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Glutamic Acid 204 is the Terminal Proton Release Group at the Extracellular Surface of Bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Light-driven protonation changes of internal aspartic acids of bacteriorhodopsin: an investigation by static and time-resolved infrared difference spectroscopy using [4-13C]aspartic acid labeled purple membrane

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Solid-state 13C NMR study of tyrosine protonation in dark-adapted bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Acid-base equilibrium of the Schiff base in bacteriorhodopsin.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

On the mechanism of hydrogen-deuterium exchange in bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Electrostatic interactions in macromolecules: theory and applications

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Electrostatic interactions in membranes and proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Electrostatic Energy and Macromolecular Function

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Calculations of electrostatic interactions in biological systems and in solutions

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

The determinants of pKas in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

The two pKa's of aspartate-85 and control of thermal isomerization and proton release in the arginine-82 to lysine mutant of bacteriorhodopsin.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Titration of aspartate-85 in bacteriorhodopsin: what it says about chromophore isomerization and proton release

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Molecular dynamics study of the proton pump cycle of bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

Molecular dynamics study of bacteriorhodopsin and artificial pigments

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

The effect of protonation and electrical interactions on the stereochemistry of retinal schiff bases

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2896%2902262-4

7 January 2021

10.1016/S0301-4622(96)02262-4

Identifiers

DOI

1 reference

6 February 2018

PubMed ID

17029855

1 reference

6 February 2018