(Q44249508)

1 December 2017

Coarse-grained and all-atom modeling of structural states and transitions in hemoglobin (English)

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1 December 2017

2

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1 December 2017

Mustafa Tekpinar

1

1 reference

PubMed ID

22987685

1 December 2017

language of work or name

English

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publication date

26 October 2012

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1 December 2017

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1 December 2017

81

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1 December 2017

2

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1 December 2017

240-252

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Evolution of allosteric models for hemoglobin

1 December 2017

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Hemoglobin-ligand binding: understanding Hb function and allostery on atomic level

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Comparison of Experimental Binding Data and Theoretical Models in Proteins Containing Subunits*

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

ON THE NATURE OF ALLOSTERIC TRANSITIONS: A PLAUSIBLE MODEL

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Structure Of Hæemoglobin: A Three-Dimensional Fourier Synthesis of Reduced Human Haemoglobin at 5.5 Å Resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

The crystal structure of human deoxyhaemoglobin at 1.74 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

The enigma of the liganded hemoglobin end state: a novel quaternary structure of human carbonmonoxy hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Interface sliding as illustrated by the multiple quaternary structures of liganded hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Quaternary structure of hemoglobin in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Insights into the solution structure of human deoxyhemoglobin in the absence and presence of an allosteric effector

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Hemoglobin allostery: variations on the theme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

A tertiary two-state allosteric model for hemoglobin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Nanosecond absorption spectroscopy of hemoglobin: elementary processes in kinetic cooperativity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Hemoglobin allostery: resonance Raman spectroscopy of kinetic intermediates

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Allosteric intermediates in hemoglobin. 1. Nanosecond time-resolved circular dichroism spectroscopy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Allosteric intermediates in hemoglobin. 2. Kinetic modeling of HbCO photolysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Hydrogen bonding to Trp beta37 is the first step in a compound pathway for hemoglobin allostery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Tracking the structural dynamics of proteins in solution using time-resolved wide-angle X-ray scattering

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

New insights into the allosteric mechanism of human hemoglobin from molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

A 45-ns molecular dynamics simulation of hemoglobin in water by vectorizing and parallelizing COSMOS90 on the earth simulator: dynamics of tertiary and quaternary structures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Molecular dynamics simulations of hemoglobin A in different states and bound to DPG: effector-linked perturbation of tertiary conformations and HbA concerted dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Unsuspected pathway of the allosteric transition in hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Coarse-grained models for proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Anisotropy of fluctuation dynamics of proteins with an elastic network model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Analysis of domain motions by approximate normal mode calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Conformational change of proteins arising from normal mode calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Large Amplitude Elastic Motions in Proteins from a Single-Parameter, Atomic Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Normal mode analysis of macromolecular motions in a database framework: developing mode concentration as a useful classifying statistic

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Coarse-grained normal mode analysis in structural biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Allosteric transitions in biological nanomachines are described by robust normal modes of elastic networks

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Large-scale evaluation of dynamically important residues in proteins predicted by the perturbation analysis of a coarse-grained elastic model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Protein conformational transitions explored by mixed elastic network models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Large amplitude conformational change in proteins explored with a plastic network model: adenylate kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Decrypting the sequence of structural events during the gating transition of pentameric ligand-gated ion channels based on an interpolated elastic network model

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Coarse-grained modeling of the structural states and transition underlying the powerstroke of dynein motor domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Normal-modes-based prediction of protein conformational changes guided by distance constraints

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Modeling protein conformational changes by iterative fitting of distance constraints using reoriented normal modes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Normal mode based flexible fitting of high-resolution structure into low-resolution experimental data from cryo-EM.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Accurate flexible fitting of high-resolution protein structures into cryo-electron microscopy maps using coarse-grained pseudo-energy minimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Accurate flexible fitting of high-resolution protein structures to small-angle x-ray scattering data using a coarse-grained model with implicit hydration shell

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

WAXS studies of the structural diversity of hemoglobin in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Simulated x-ray scattering of protein solutions using explicit-solvent models

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Allosteric changes in protein structure computed by a simple mechanical model: hemoglobin T<-->R2 transition.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Implementation of Accelerated Molecular Dynamics in NAMD

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

A comparative NMR study of the polypeptide backbone dynamics of hemoglobin in the deoxy and carbonmonoxy forms

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Structure and oxygen affinity of crystalline desArg141 alpha human hemoglobin A in the T state.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Mutational Effects at the Subunit Interfaces of Human Hemoglobin: Evidence for a Unique Sensitivity of the T Quaternary State to Changes in the Hinge Region of the α1β2 Interface†

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Effects of amino acid substitutions at beta 131 on the structure and properties of hemoglobin: evidence for communication between alpha 1 beta 1- and alpha 1 beta 2-subunit interfaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Time-resolved absorption and UV resonance Raman spectra reveal stepwise formation of T quaternary contacts in the allosteric pathway of hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Protein dynamics explain the allosteric behaviors of hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

The quaternary structure of carbonmonoxy hemoglobin ypsilanti

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

The T-to-R transformation in hemoglobin: a reevaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Allosteric intermediates indicate R2 is the liganded hemoglobin end state

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Crystal structure of T state haemoglobin with oxygen bound at all four haems

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

High resolution crystal structures and comparisons of T-state deoxyhaemoglobin and two liganded T-state haemoglobins: T(alpha-oxy)haemoglobin and T(met)haemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Structural heterogeneity of the Fe(2+)-N epsilon (HisF8) bond in various hemoglobin and myoglobin derivatives probed by the Raman-active iron histidine stretching mode

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Direct observation of photolysis-induced tertiary structural changes in hemoglobin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

The crystal structure of horse deoxyhaemoglobin trapped in the high-affinity (R) state

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Global allostery model of hemoglobin. Modulation of O(2) affinity, cooperativity, and Bohr effect by heterotropic allosteric effectors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Inhibition of Bohr Effect after Removal of C-Terminal Histidines from Haemoglobin β-Chains

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Crystals of haemoglobin with the T quaternary structure bind oxygen noncooperatively with no Bohr effect

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

Structure and Oxygen Affinity of Crystalline des-His-146β Human Hemoglobin in the T State

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24180

21 January 2018

Identifiers

DOI

10.1002/PROT.24180

1 reference

1 December 2017

1 reference

PubMed ID

22987685