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

18 June 2017

1 reference

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

1 reference

PubMed ID

10812025

18 June 2017

E Alexov

series ordinal

2

1 reference

PubMed ID

10812025

18 June 2017

language of work or name

English

0 references

publication date

1 May 2000

1 reference

Biochimica et Biophysica Acta

18 June 2017

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18 June 2017

1458

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18 June 2017

63-87

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18 June 2017

1

1 reference

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

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

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

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

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

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

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

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Classical electrostatics in biology and chemistry

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Electrostatic effects in macromolecules: fundamental concepts and practical modeling.

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

7 January 2021

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

7 January 2021

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Modeling of protein conformational fluctuations in pKa predictions

7 January 2021

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

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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

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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

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

7 January 2021

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

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Correlating solvation free energies and surface tensions of hydrocarbon solutes.

7 January 2021

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Complex formation between methionine and a heme peptide from cytochrome c

7 January 2021

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

7 January 2021

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Voltammetric measurements of quinones

7 January 2021

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Electrostatic control of charge separation in bacterial photosynthesis

7 January 2021

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Dynamics affecting the primary charge transfer in photosynthesis

7 January 2021

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

7 January 2021

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

7 January 2021

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The dielectric constant of a folded protein

7 January 2021

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Treatment of electrostatic effects in macromolecular modeling

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

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Dielectric studies of the binding of water to lysozyme

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Prediction of pH-dependent properties of proteins

7 January 2021

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The determinants of pKas in proteins

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Oxidation state-dependent conformational changes in cytochrome c

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

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A theoretical study of the dielectric constant of protein.

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

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Bayesian statistical analysis of protein side-chain rotamer preferences

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

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High-resolution structures of photosynthetic reaction centers

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

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

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Nanosecond fluorescence from isolated photosynthetic reaction centers of Rhodopseudomonas sphaeroides

7 January 2021

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7 January 2021

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7 January 2021

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Quantum mechanical tunnelling in biological systems

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7 January 2021

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

7 January 2021

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Nature of biological electron transfer

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Proton transfer in reaction centers from photosynthetic bacteria

7 January 2021

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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

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In bacterial reaction centers, a key residue suppresses mutational blockage of two different proton transfer steps

7 January 2021

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

7 January 2021

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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

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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

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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

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

7 January 2021

1 reference

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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

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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

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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

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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

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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

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

7 January 2021

1 reference

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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

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

7 January 2021

1 reference

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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

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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

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7 January 2021

Waterlogged Molecules

1 reference

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

7 January 2021

1 reference

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

7 January 2021

1 reference

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7 January 2021

Ion-pairs in proteins.

1 reference

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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

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Exceptionally stable salt bridges in cytochrome P450cam have functional roles.

7 January 2021

1 reference

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10.1016/S0005-2728(00)00060-8

7 January 2021

Identifiers

DOI

1 reference

18 June 2017

1 reference

PubMed ID

10812025