(Q30322987)

4 September 2017

Tanford-Kirkwood electrostatics for protein modeling. (English)

1 reference

4 September 2017

J J Havranek

1

1 reference

PMCID

18001

4 September 2017

P B Harbury

series ordinal

2

1 reference

PMCID

18001

4 September 2017

language of work or name

English

0 references

publication date

1 September 1999

1 reference

Proceedings of the National Academy of Sciences of the United States of America

4 September 2017

1 reference

4 September 2017

96

1 reference

4 September 2017

11145-11150

1 reference

4 September 2017

20

1 reference

The dead-end elimination theorem and its use in protein side-chain positioning

4 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Hydrogen bonding in enzymatic catalysis: analysis of energetic contributions

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

High-resolution protein design with backbone freedom

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

From coiled coils to small globular proteins: design of a native-like three-helix bundle

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

De novo protein design: towards fully automated sequence selection

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

De novo protein design: fully automated sequence selection

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Buried asparagines determine the dimerization specificities of leucine zipper mutants

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

De novo design of the hydrophobic cores of proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

A switch between two-, three-, and four-stranded coiled coils in GCN4 leucine zipper mutants

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Solution structure of turkey ovomucoid third domain as determined from nuclear magnetic resonance data

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Do salt bridges stabilize proteins? A continuum electrostatic analysis.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Classical electrostatics in biology and chemistry

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

pH, ionic strength, and temperature dependences of ionization equilibria for the carboxyl groups in turkey ovomucoid third domain.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Calculations of electrostatic interactions in biological systems and in solutions

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

On the calculation of electrostatic interactions in proteins.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

A precise analytical method for calculating the electrostatic energy of macromolecules in aqueous solution

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

A new approach to the rapid determination of protein side chain conformations

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Conformational changes in cubic insulin crystals in the pH range 7-11

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

Predicting protein mutant energetics by self-consistent ensemble optimization.

3 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

Computation of molecular volume

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

The determinants of pKas in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

Electrostatic effects in macromolecules: fundamental concepts and practical modeling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

Contributions of the ionizable amino acids to the stability of staphylococcal nuclease.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

Modeling of protein conformational fluctuations in pKa predictions

21 January 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=18001

26 November 2018

https://api.crossref.org/works/10.1073%2FPNAS.96.20.11145

On the calculation of pKas in proteins

21 January 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Hydrogen bonds and the pH dependence of ovomucoid third domain stability

1 reference

12 December 2020

A buried polar interaction imparts structural uniqueness in a designed heterodimeric coiled coil

1 reference

12 December 2020

A buried polar interaction can direct the relative orientation of helices in a coiled coil

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.96.20.11145

1 reference

4 September 2017

0 references

1 reference

4 September 2017

1 reference

PMCID

18001