(Q28253344)

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

inferred from title

author name string

Bertrand García-Moreno E

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Carolyn A Fitch

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language of work or name

English

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publication date

2004

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published in

Methods in Enzymology

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volume

380

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page(s)

20-51

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cites work

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7 January 2021

Electrostatic contributions to molecular free energies in solution

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7 January 2021

Extension of the theory of linked functions to incorporate the effects of protein hydration

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https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pH dependence of stability of staphylococcal nuclease: evidence of substantial electrostatic interactions in the denatured state

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7 January 2021

Estimating binding constants for site-specific interactions between monovalent ions and proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Variability in the pKa of histidine side-chains correlates with burial within proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Empirical relationships between protein structure and carboxyl pKa values in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Calculations of electrostatic interactions in biological systems and in solutions

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

What are the dielectric "constants" of proteins and how to validate electrostatic models?

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

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%2FS0076-6879%2804%2980002-8

7 January 2021

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

On the calculation of pKas in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

The determinants of pKas in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

The dielectric constant of a folded protein

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Prediction of pH-dependent properties of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Modeling of protein conformational fluctuations in pKa predictions

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Thermodynamic linkage between the binding of protons and inhibitors to HIV-1 protease

1 reference

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7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Electrostatic effects in highly charged proteins: salt sensitivity of pKa values of histidines in staphylococcal nuclease

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Calculated pH-dependent population and protonation of carbon-monoxy-myoglobin conformers

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Role of the protein side-chain fluctuations on the strength of pair-wise electrostatic interactions: comparing experimental with computed pK(a)s

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

The conserved, buried aspartic acid in oxidized Escherichia coli thioredoxin has a pKa of 7.5. Its titration produces a related shift in global stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pKa calculations for class A beta-lactamases: methodological and mechanistic implications

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Experimental pK(a) values of buried residues: analysis with continuum methods and role of water penetration

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Tanford-Kirkwood electrostatics for protein modeling.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Self-consistent field approach to protein structure and stability. I: pH dependence of electrostatic contribution

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

A self-consistent, microenvironment modulated screened coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

An empirical model for electrostatic interactions in proteins incorporating multiple geometry‐dependent dielectric constants

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

The role of hydrophobic microenvironments in modulating pKa shifts in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Charge-charge interactions are key determinants of the pK values of ionizable groups in ribonuclease Sa (pI=3.5) and a basic variant (pI=10.2).

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pK values of histidine residues in ribonuclease Sa: effect of salt and net charge.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Surface electrostatic interactions contribute little of stability of barnase

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Cumulative site-directed charge-change replacements in bacteriophage T4 lysozyme suggest that long-range electrostatic interactions contribute little to protein stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

The effect of net charge on the solubility, activity, and stability of ribonuclease Sa

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Engineering a thermostable protein via optimization of charge-charge interactions on the protein surface

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Rational Modification of Protein Stability by the Mutation of Charged Surface Residues†

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Structural and thermodynamic consequences of burying a charged residue within the hydrophobic core of T4 lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Insensitivity of perturbed carboxyl pK(a) values in the ovomucoid third domain to charge replacement at a neighboring residue

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Salt effects on ionization equilibria of histidines in myoglobin

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Hydrogen bonds and the pH dependence of ovomucoid third domain stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Histidine-aromatic interactions in barnase. Elevation of histidine pKa and contribution to protein stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Contribution of surface salt bridges to protein stability: guidelines for protein engineering

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pKaValues and the pH Dependent Stability of the N-Terminal Domain of L9 as Probes of Electrostatic Interactions in the Denatured State. Differentiation between Local and Nonlocal Interactions†

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pKA values of carboxyl groups in the native and denatured states of barnase: the pKA values of the denatured state are on average 0.4 units lower than those of model compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Site-specific contributions to the pH dependence of protein stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

In a staphylococcal nuclease mutant the side-chain of a lysine replacing valine 66 is fully buried in the hydrophobic core

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

Experimental measurement of the effective dielectric in the hydrophobic core of a protein.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021

pH-dependent processes in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2804%2980002-8

7 January 2021