(Q43825577)

27 November 2017

Continuum electrostatic analysis of irregular ionization and proton allocation in proteins (English)

1 reference

27 November 2017

Assen Koumanov

1

1 reference

27 November 2017

Heinz Rüterjans

series ordinal

2

1 reference

27 November 2017

Andrey Karshikoff

series ordinal

3

1 reference

27 November 2017

language of work or name

English

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publication date

1 January 2002

1 reference

27 November 2017

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27 November 2017

46

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27 November 2017

1

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27 November 2017

85-96

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Calculations of electrostatic interactions in biological systems and in solutions

27 November 2017

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

High apparent dielectric constants in the interior of a protein reflect water penetration

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Ionisation of cysteine residues at the termini of model alpha-helical peptides. Relevance to unusual thiol pKa values in proteins of the thioredoxin family.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

In situ determination of transient pKa changes of internal amino acids of bacteriorhodopsin by using time-resolved attenuated total reflection Fourier-transform infrared spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Crystal structures explain functional properties of two E. coli porins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Crystal structure of Omp32, the anion-selective porin from Comamonas acidovorans, in complex with a periplasmic peptide at 2.1 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Electrostatic calculations of amino acid titration and electron transfer, Q-AQB-->QAQ-B, in the reaction center

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Electrostatic models for computing protonation and redox equilibria in proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Family of G protein alpha chains: amphipathic analysis and predicted structure of functional domains

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Ribonuclease T1 with free recognition and catalytic site: crystal structure analysis at 1.5 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial photosynthetic reaction centers.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Proton nuclear magnetic resonance study of histidine ionizations in myoglobins of various species. Comparison of observed and computed pK values

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Hydration water molecules of nucleotide-free RNase T1 studied by NMR spectroscopy in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Ionization properties of titratable groups in ribonuclease T1. I. pKa values in the native state determined by two-dimensional heteronuclear NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

The determinants of pKas in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Calculations of proton-binding thermodynamics in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Contribution of unusual arginine-arginine short-range interactions to stabilization and recognition in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Electrostatic properties of two porin channels from Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

On the calculation of pKas in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

A simple algorithm for the calculation of multiple site titration curves

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Interpretation of protein titration curves. Application to lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Ionization properties of titratable groups in ribonuclease T1. II. Electrostatic analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Buried, charged, non-ion-paired aspartic acid 76 contributes favorably to the conformational stability of ribonuclease T1

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

Electrostatic effects in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10034

21 January 2018

Identifiers

DOI

10.1002/PROT.10034

1 reference

27 November 2017

1 reference