A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins. (Q30326804)

18 June 2017

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title

A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins. (English)

1 reference

18 June 2017

M R Gunner

1

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18 June 2017

E Alexov

series ordinal

2

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18 June 2017

language of work or name

English

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publication date

1 May 2000

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Biochimica et Biophysica Acta

18 June 2017

published in

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18 June 2017

volume

1458

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18 June 2017

issue

1

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18 June 2017

page(s)

63-87

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Crystal structure of an integral membrane light-harvesting complex from photosynthetic bacteria

18 June 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Crystal structure of the cytochrome bc1 complex from bovine heart mitochondria

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Beef heart cytochrome c oxidase

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The Structure of the Potassium Channel: Molecular Basis of K + Conduction and Selectivity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electron transfer by domain movement in cytochrome bc1

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Effects of Nonpolar Environments on the Redox Potentials of Heme Complexes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Calculations of electrostatic interactions in biological systems and in solutions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Control of the redox potential of cytochrome c and microscopic dielectric effects in proteins.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial photosynthetic reaction centers.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

On the calculation of pKas in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electrostatic control of midpoint potentials in the cytochrome subunit of the Rhodopseudomonas viridis reaction center

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Calculated coupling of electron and proton transfer in the photosynthetic reaction center of Rhodopseudomonas viridis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Classical electrostatics in biology and chemistry

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Roles of electrostatic interaction in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electrostatic effects in macromolecules: fundamental concepts and practical modeling

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Coupling between folding and ionization equilibria: effects of pH on the conformational preferences of polypeptides.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Modeling of protein conformational fluctuations in pKa predictions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Extension of the fragment method to calculate amino acid zwitterion and side chain partition coefficients

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Comparing the polarities of the amino acids: side-chain distribution coefficients between the vapor phase, cyclohexane, 1-octanol, and neutral aqueous solution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Experimental resolution of the free energies of aqueous solvation contributions to ligand-protein binding: quinone-QA site interactions in the photosynthetic reaction center protein

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

On the probability of finding a water molecule in a nonpolar cavity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Correlating solvation free energies and surface tensions of hydrocarbon solutes.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Complex formation between methionine and a heme peptide from cytochrome c

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

A mechanism for the reduction of cytochromes by quinols in solution and its relevance to biological electron transfer reactions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Voltammetric measurements of quinones

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electrostatic control of charge separation in bacterial photosynthesis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Dynamics affecting the primary charge transfer in photosynthesis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The dielectric constant of a folded protein

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Treatment of electrostatic effects in macromolecular modeling

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Dielectric studies of the binding of water to lysozyme

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Prediction of pH-dependent properties of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The determinants of pKas in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Oxidation state-dependent conformational changes in cytochrome c

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

A theoretical study of the dielectric constant of protein.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Bayesian statistical analysis of protein side‐chain rotamer preferences

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The role of the alpha-helix dipole in protein function and structure

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

High-resolution structures of photosynthetic reaction centers

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Control of electron transfer between the L- and M-sides of photosynthetic reaction centers

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electrogenic steps in the redox reactions catalyzed by photosynthetic reaction-centre complex from Rhodopseudomonas viridis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

I. Langmuir-blodgett monolayer films of bacterial photosynthetic membranes and isolated reaction centers: preparation, spectrophotometric and electrochemical characterization

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Nanosecond fluorescence from isolated photosynthetic reaction centers of Rhodopseudomonas sphaeroides

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Energetics and kinetics of radical pairs in reaction centers from Rhodobacter sphaeroides. A femtosecond transient absorption study

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Rates of primary electron transfer in photosynthetic reaction centres and their mechanistic implications

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Quantum mechanical tunnelling in biological systems

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Electron transfers in chemistry and biology

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Temperature dependence of the reorganization energy for charge recombination in the reaction center from Rhodobacter sphaeroides

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Nature of biological electron transfer

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Proton transfer in reaction centers from photosynthetic bacteria

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

In Bacterial Reaction Centers Rapid Delivery of the Second Proton to QB Can Be Achieved in the Absence of L212Glu

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

In Bacterial Reaction Centers, a Key Residue Suppresses Mutational Blockage of Two Different Proton Transfer Steps

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Identification of the proton pathway in bacterial reaction centers: inhibition of proton transfer by binding of Zn2+ or Cd2+.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Time-resolved electrochromism associated with the formation of quinone anions in the Rhodobacter sphaeroides R26 reaction center

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Conformational gating of the electron transfer reaction QA-.QB --> QAQB-. in bacterial reaction centers of Rhodobacter sphaeroides determined by a driving force assay

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Kinetic Phases in the Electron Transfer from P+QA-QB to P+QAQB- and the Associated Processes in Rhodobacter sphaeroides R-26 Reaction Centers

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Proton and electron transfer in the acceptor quinone complex of Rhodobacter sphaeroides reaction centers: characterization of site-directed mutants of the two ionizable residues, GluL212 and AspL213, in the QB binding site

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Proton conduction within the reaction centers of Rhodobacter capsulatus: the electrostatic role of the protein

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Protonation of Glu L212 following QB- formation in the photosynthetic reaction center of Rhodobacter sphaeroides: evidence from time-resolved infrared spectroscopy

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Proton and Electron Transfer to the Secondary Quinone (QB) in Bacterial Reaction Centers: The Effect of Changing the Electrostatics in the Vicinity of QB by Interchanging Asp and Glu at the L212 and L213 Sites

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Light-induced proton uptake by photosynthetic reaction centers from Rhodobacter sphaeroides R-26.1. II. Protonation of the state DQAQB2-.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Pathway of proton transfer in bacterial reaction centers: replacement of serine-L223 by alanine inhibits electron and proton transfers associated with reduction of quinone to dihydroquinone

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Pathway of proton transfer in bacterial reaction centers: role of aspartate-L213 in proton transfers associated with reduction of quinoneto dihydroquinone

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

In bacterial reaction centers protons can diffuse to the secondary quinone by alternative pathways

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Interruption of the water chain in the reaction center from Rhodobacter sphaeroides reduces the rates of the proton uptake and of the second electron transfer to QB

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

In Rhodobacter sphaeroides reaction centers, mutation of proline L209 to aromatic residues in the vicinity of a water channel alters the dynamic coupling between electron and proton transfer processes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Pathway of proton transfer in bacterial reaction centers: replacement of glutamic acid 212 in the L subunit by glutamine inhibits quinone (secondary acceptor) turnover

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

7 January 2021

Waterlogged Molecules

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Stabilization of charges on isolated ionic groups sequestered in proteins by polarized peptide units

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Optimization of the electrostatic interactions in proteins of different functional and folding type

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

7 January 2021

Ion-pairs in proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

The distribution of charged groups in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Do salt bridges stabilize proteins? A continuum electrostatic analysis.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Protein stabilization by removal of unsatisfied polar groups: computational approaches and experimental tests

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

Exceptionally stable salt bridges in cytochrome P450cam have functional roles.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0005-2728%2800%2900060-8

10.1016/S0005-2728(00)00060-8

7 January 2021

Identifiers

DOI

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18 June 2017

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