Calculations of electrostatic interactions in biological systems and in solutions (Q29031095)

Europe PubMed Central

title

Calculations of electrostatic interactions in biological systems and in solutions (English)

1 reference

26 March 2017

1 reference

Europe PubMed Central

PubMed ID

6098916

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A6098916

5 August 2023

1

Arieh Warshel

1 reference

26 March 2017

author name string

Stephen T. Russell

series ordinal

2

1 reference

26 March 2017

S. T. Russell

series ordinal

2

1 reference

Europe PubMed Central

PubMed ID

6098916

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A6098916

5 August 2023

language of work or name

English

1 reference

National Center for Biotechnology Information

PubMed ID

6098916

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=6098916

5 August 2023

publication date

August 1984

1 reference

full work available at URL

26 March 2017

https://www.cambridge.org/core/services/aop-cambridge-core/content/view/S0033583500005333

1 reference

10.1017/S0033583500005333

DOI

https://api.crossref.org/works/10.1017/S0033583500005333

Quarterly Reviews of Biophysics

5 August 2023

published in

1 reference

26 March 2017

volume

17

1 reference

26 March 2017

page(s)

283

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26 March 2017

issue

03

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Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n‐Alkane Molecules

26 March 2017

cites work

1 reference

https://api.crossref.org/works/10.1017/S0033583500005333

Bicycle-pedal model for the first step in the vision process

21 April 2017

1 reference

https://api.crossref.org/works/10.1017/S0033583500005333

Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes

21 April 2017

1 reference

https://api.crossref.org/works/10.1017/S0033583500005333

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

21 April 2017

1 reference

https://api.crossref.org/works/10.1017/S0033583500005333

The Electrostatic Influence of Substituents on the Dissociation Constants of Organic Acids. I

21 April 2017

1 reference

https://api.crossref.org/works/10.1017/S0033583500005333

Improved simulation of liquid water by molecular dynamics

21 April 2017

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

Nuclear magnetic resonance of labile protons in the basic pancreatic trypsin inhibitor

23 May 2017

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic calculations for an ion channel. I. Energy and potential profiles and interactions between ions

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Studies of nucleotide conformations and interactions. The relative stabilities of double-helical B-DNA sequence isomers

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Structure and Function of Cytochromes C

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The electric potential field around cytochrome c and the effect of ionic strength on reaction rates of horse cytochrome c.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Investigation of intermediates and transition states in the catalytic mechanisms of active site substituted cobalt(II), nickel(II), zinc(II), and cadmium(II) horse liver alcohol dehydrogenase

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Revised TIPS for simulations of liquid water and aqueous solutions

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A theoretical model for the effects of solvent and protein dielectric on the redox potentials of iron-sulfur clusters

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A theoretical model for the effects of local nonpolar heme environments on the redox potentials in cytochromes

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Conformational equilibria in -and -chymotrypsin. The energetics and importance of the salt bridge

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Energy uptake in the first step of visual excitation

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Conversion of light energy to electrostatic energy in the proton pump of Halobacterium halobium

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Solvent effects on the spectra of retinal Schiff bases--I. models for the bathochromic shift of the chromophore spectrum in visual pigments

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A molecular orbital study on the enzymic reaction mechanism of alpha-chymotrypsin.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Immunospecific identification and three-dimensional structure of a membrane-bound acetylcholine receptor from Torpedo californica

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The catalytic function of active site amino acid side chains in well-characterized enzymes

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A comparison of the structures of electron transfer proteins

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Molecular orbital calculations of the catalytic effect of lysozyme. I. Glu 35 as general acid catalyst

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Visual-pigment spectra: implications of the protonation of the retinal Schiff base

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Energy barriers for passage of ions through channels. Exact solution of two electrostatic problems.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Side-chain torsional potentials: effect of dipeptide, protein, and solvent environment

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Effect of cysteine-25 on the ionization of histidine-159 in papain as determined by proton nuclear magnetic resonance spectroscopy. Evidence for a his-159--Cys-25 ion pair and its possible role in catalysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Comparison of protein electrostatic potential along the catalytic triad of serine proteinases

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Spectrophotometric and Structural Evidence as to the Mechanism of Protease Catalysis at Chemical Bonding Resolution

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Role of C-terminal histidine in the alkaline Bohr effect of human hemoglobin

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Perturbations in the free energy and enthalpy of ionization of histidine-159 at the active site of papain as determined by fluorescence spectroscopy.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Computer simulation of the solvent structure around biological macromolecules

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acids.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Spectroscopic model for the visual pigments. Influence of microenvironmental polarizability

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Effects of Nonpolar Environments on the Redox Potentials of Heme Complexes

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Dynamics of enzymatic reactions

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Viscosity-dependent structural fluctuations in enzyme catalysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic potentials of proteins. 1. Carboxypeptidase A

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Charge stabilization mechanism in the visual and purple membrane pigments

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

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/10.1017%2FS0033583500005333

7 January 2021

Electrostatic effects in proteins

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic orientation during electron transfer between flavodoxin and cytochrome c

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Experimental evaluation of the effective dielectric constant of proteins

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The separation of electrons and protons during electron transfer: the distinction between membrane potentials and transmembrane gradients.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Energetics of enzyme catalysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Nanosecond decay studies of a fluorescence probe bound to apomyoglobin

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Chemical and Electrochemical Electron-Transfer Theory

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Interpretation of the titration curve of oxyhemoglobin. Detailed consideration of Coulomb interactions at low ionic strength

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Ionization behavior of the catalytic carboxyls of lysozyme. Effects of ionic strength.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Cooperative effects in simulated water

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Ion-membrane interactions as structural forces

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Stereochemistry of Cooperative Effects in Haemoglobin: Haem–Haem Interaction and the Problem of Allostery

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Correlations between reactivity and structure of some chromophoric acylchymotrypsins by resonance Raman spectroscopy

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Relation between the local field at large distances from a charge or dipole and the dielectric constant.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Structural studies of a membrane-bound acetylcholine receptor from Torpedo californica

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Interpretation of protein titration curves. Application to lysozyme

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Molecular orbital studies of enzyme activity: I: Charge relay system and tetrahedral intermediate in acylation of serine proteinases

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Molecular orbital studies of enzyme activity: catalytic mechanism of serine proteinases

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Molecular orbital studies of enzyme activity. 4. Hydrolysis of peptides by carboxypeptidase A

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Bacteriorhodopsin and the purple membrane of halobacteria

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A mechanism for the light-driven proton pump of Halobacterium halobium

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The alpha-helix dipole and the properties of proteins

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic effects in hemoglobin: hydrogen ion equilibria in human deoxy- and oxyhemoglobin A

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

On the role of the active site helix in papain, an AB initio molecular orbital study

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

An estimate of intraproteic electrostatic fields values originated by the peptide groups in α-Chymotrypsin

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Energy of an Ion crossing a Low Dielectric Membrane: Solutions to Four Relevant Electrostatic Problems

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic effects in myoglobin. Application of the modified Tanford-Kirkwood theory to myoglobins from horse, California grey whale, harbor seal, and California sea lion

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Separation of factors responsible for lysozyme catalysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Computer simulation of the dynamics of hydrated protein crystals and its comparison with x-ray data

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

A molecular orbital study of the protein-controlled bathochromic shift in a model of rhodopsin.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The electrostatic potential of the alpha helix (electrostatic potential/alpha-helix/secondary structure/helix dipole)

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Theoretical approaches to the intermolecular nature of water

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Interpretation of resonance Raman spectra of biological molecules

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

The purple membrane from Halobacterium halobium

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Electrostatic control of the efficiency of light-induced electron transfer across membranes

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Enzyme Dynamics: The Statistical Physics Approach

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500005333

7 January 2021

Affinities of amino acid side chains for solvent water

series ordinal

2

1 reference

10.1017/S0033583500005333

DOI

https://api.crossref.org/works/10.1017/S0033583500005333