Theory of electrostatic interactions in macromolecules (Q40467205)

20 September 2017

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title

Theory of electrostatic interactions in macromolecules (English)

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Crossref

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

14 July 2024

M. K. Gilson

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A7648324

14 July 2024

language of work or name

English

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National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=7648324

14 July 2024

publication date

1 April 1995

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full work available at URL

20 September 2017

https://api.elsevier.com/content/article/PII:0959440X95800794?httpAccept=text/xml

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Crossref

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

https://api.elsevier.com/content/article/PII:0959440X95800794?httpAccept=text/plain

14 July 2024

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Crossref

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Current Opinion in Structural Biology

14 July 2024

published in

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20 September 2017

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20 September 2017

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20 September 2017

page(s)

216-223

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Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

20 September 2017

cites work

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https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Molecular dynamics studies of solvated polypeptides: Why the cut-off scheme does not work

14 July 2024

1 reference

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A fast algorithm for particle simulations

14 July 2024

1 reference

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Electrostatic Interactions

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Atomic-level accuracy in simulations of large protein crystals

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Combined conformational search and finite-difference Poisson-Boltzmann approach for flexible docking. Application to an operator mutation in the lambda repressor-operator complex

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Evaluation of the conformational free energies of loops in proteins.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

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

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Dependence on the dielectric model and pH in a synthetic helical peptide studied by Monte Carlo simulated annealing

14 July 2024

1 reference

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Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Macromolecular electrostatic energy within the nonlinear Poisson–Boltzmann equation

14 July 2024

1 reference

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Salt effects on ligand-DNA binding. Minor groove binding antibiotics.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Salt effects on protein-DNA interactions. The lambda cI repressor and EcoRI endonuclease.

14 July 2024

1 reference

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Treatment of electrostatic effects in proteins: multigrid-based Newton iterative method for solution of the full nonlinear Poisson-Boltzmann equation.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Prediction of pH-dependent properties of proteins

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Improved continuum electrostatic modelling in proteins, with comparison to experiment.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Ion pair potentials-of-mean-force in water

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Molecular mechanics and electrostatic effects

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Effect of fluorochrome location in protein A on sensing efficiency of IgG.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

The activity of porcine pancreatic phospholipase A2 in 20% alcohol/aqueous solvent, by experiment and electrostatics calculations.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

An unequivocal example of cysteine proteinase activity affected by multiple electrostatic interactions

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Electron-transfer kinetics and electrostatic properties of the Rhodobacter sphaeroides reaction center and soluble c-cytochromes.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Quantitative evaluation of hydration thermodynamics with a continuum model

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Electrostatic properties of two porin channels from Escherichia coli

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Stabilization of Protein Crystals by Electrostatic Interactions as Revealed by a Numerical Approach

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

The role of arginine 143 in the electrostatics and mechanism of Cu,Zn superoxide dismutase: computational and experimental evaluation by mutational analysis

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

The role of electrostatic charge in the membrane insertion of colicin A. Calculation and mutation.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Receptor binding properties of four-helix-bundle growth factors deduced from electrostatic analysis.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

The electrostatic basis for the interfacial binding of secretory phospholipases A2.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Electrostatic potentials and electrostatic interaction energies of rat cytochrome b5 and a simulated anion-exchange adsorbent surface

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Effects of Mutations and Complex Formation on the Reduction Potentials of Cytochrome c and Cytochrome c Peroxidase

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Monte Carlo and Poisson-Boltzmann calculations of the fraction of counterions bound to DNA.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Electrostatic effects in short superhelical DNA

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Do salt bridges stabilize proteins? A continuum electrostatic analysis.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

The engineering of binding affinity at metal ion binding sites for the stabilization of proteins: subtilisin as a test case

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Spatial optimization of electrostatic interactions between the ionized groups in globular proteins.

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

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

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Structural origins of pH and ionic strength effects on protein stability. Acid denaturation of sperm whale apomyoglobin

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

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

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

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

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

1H-NMR study on the tautomerism of the imidazole ring of histidine residues. II. Microenvironments of histidine-12 and histidine-119 of bovine pancreatic ribonuclease A

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Nanometric design of extraordinary hydrophobic-induced pKa shifts for aspartic acid: relevance to protein mechanisms

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

Effective water model for Monte Carlo simulations of proteins

14 July 2024

1 reference

https://api.crossref.org/works/10.1016/0959-440X(95)80079-4

14 July 2024

Identifiers

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20 September 2017

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