(Q52234205)

27 April 2018

title

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

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27 April 2018

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Karplus M

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27 April 2018

author name string

van Vlijmen HW

series ordinal

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27 April 2018

Schaefer M

series ordinal

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27 April 2018

language of work or name

English

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publication date

1 November 1998

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27 April 2018

published in

Proteins

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27 April 2018

volume

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27 April 2018

issue

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27 April 2018

page(s)

145-158

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27 April 2018

Electrostatic effects in proteins

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Electrostatic Energy and Macromolecular Function

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A new method for computing the macromolecular electric potential

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Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

21 January 2018

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

21 January 2018

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21 January 2018

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21 January 2018

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Electrostatic field around cytochrome c: theory and energy transfer experiment

21 January 2018

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Linkage of thioredoxin stability to titration of ionizable groups with perturbed pKa.

21 January 2018

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Electrostatic calculations of side-chain pK(a) values in myoglobin and comparison with NMR data for histidines

21 January 2018

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Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility

21 January 2018

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

21 January 2018

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21 January 2018

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21 January 2018

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Protonation of interacting residues in a protein by a Monte Carlo method: application to lysozyme and the photosynthetic reaction center of Rhodobacter sphaeroides

21 January 2018

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Real-space refinement of the structure of hen egg-white lysozyme

21 January 2018

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A Study of the Lysyl Residues in the Basic Pancreatic Trypsin Inhibitor using 1H Nuclear Magnetic Resonance at 360 MHz

21 January 2018

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The Influence of a Single Salt Bridge on Static and Dynamic Features of the Globular Solution Conformation of the Basic Pancreatic Trypsin Inhibitor. 1H and 13C Nuclear-Magnetic-Resonance Studies of the Native and the Transaminated Inhibitor

21 January 2018

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High-field carbon-13 nuclear magnetic resonance studies at 90.5 MHz of the basic pancreatic trypsin inhibitor

21 January 2018

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Measurement of the individual pKa values of acidic residues of hen and turkey lysozymes by two-dimensional 1H NMR.

21 January 2018

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1H-NMR study on the tautomerism of the imidazole ring of histidine residues. I. Microscopic pK values and molar ratios of tautomers in histidine-containing peptides

21 January 2018

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Electrostatic interactions in macromolecules: theory and applications

21 January 2018

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Modeling of protein conformational fluctuations in pKa predictions

21 January 2018

1 reference

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Electrostatic effects in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0134%2819981101%2933%3A2%3C145%3A%3AAID-PROT1%3E3.0.CO%3B2-I

A mathematical model for structure-function relations in hemoglobin

21 January 2018

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

21 January 2018

1 reference

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Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

21 January 2018

1 reference

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Intrinsic pKas of ionizable residues in proteins: an explicit solvent calculation for lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0134%2819981101%2933%3A2%3C145%3A%3AAID-PROT1%3E3.0.CO%3B2-I

On the calculation of pKas in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0134%2819981101%2933%3A2%3C145%3A%3AAID-PROT1%3E3.0.CO%3B2-I

Molecular dynamics effects on protein electrostatics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0134%2819981101%2933%3A2%3C145%3A%3AAID-PROT1%3E3.0.CO%3B2-I

Refinement of triclinic lysozyme: II. The method of stereochemically restrained least squares

21 January 2018

1 reference

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Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0134%2819981101%2933%3A2%3C145%3A%3AAID-PROT1%3E3.0.CO%3B2-I

Ionization of the catalytic groups and tyrosyl residues in human lysozyme

21 January 2018

1 reference

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Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: effects of ionic strength and amino-acid modification

21 January 2018

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Stability of proteins: small globular proteins

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pH-dependent processes in proteins.

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Identifiers

DOI

10.1002/(SICI)1097-0134(19981101)33:2<145::AID-PROT1>3.0.CO;2-I

1 reference

27 April 2018

release_agzme2qkgvbyrer6zsrfjpguvm

Fatcat ID

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27 April 2018