Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations (Q30834929)

21 August 2017

Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations (English)

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molecular dynamics simulation

21 August 2017

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X-ray crystallography

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Gerhard Hummer

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Friedrich Schotte

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21 August 2017

Philip A Anfinrud

series ordinal

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21 August 2017

language of work or name

English

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publication date

15 October 2004

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Proceedings of the National Academy of Sciences of the United States of America

21 August 2017

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21 August 2017

101

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21 August 2017

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21 August 2017

15330-15334

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Feasibility and Realization of Single-Pulse Laue Diffraction on Macromolecular Crystals at ESRF.

21 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein function

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Myoglobin-CO Substate Structures and Dynamics: Multidimensional Vibrational Echoes and Molecular Dynamics Simulations

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Complex landscape of protein structural dynamics unveiled by nanosecond Laue crystallography

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Protein conformational relaxation and ligand migration in myoglobin: a nanosecond to millisecond molecular movie from time-resolved Laue X-ray diffraction

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Ligand binding and conformational motions in myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Structure of a ligand-binding intermediate in wild-type carbonmonoxy myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

The role of cavities in protein dynamics: Crystal structure of a photolytic intermediate of a mutant myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

A steric mechanism for inhibition of CO binding to heme proteins

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Computer simulations of carbon monoxide photodissociation in myoglobin: structural interpretation of the B states.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Photolysis of the carbon monoxide complex of myoglobin: nanosecond time-resolved crystallography.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Crystal structures of CO-, deoxy- and met-myoglobins at various pH values

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Simulation of the kinetics of ligand binding to a protein by molecular dynamics: geminate rebinding of nitric oxide to myoglobin.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Protein hydration elucidated by molecular dynamics simulation

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Crystal structure of photolysed carbonmonoxy-myoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Molecular dynamics simulation of photodissociation of carbon monoxide from hemoglobin

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

The Energy Landscapes and Motions of Proteins

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Watching a protein as it functions with 150-ps time-resolved x-ray crystallography

21 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0405295101

A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0405295101

Is the CO adduct of myoglobin bent, and does it matter?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0405295101

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0405295101

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0405295101

Molecular dynamics simulation of NO recombination to myoglobin mutants.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=523450

Nature of the Iron–Oxygen Bond in Oxyhæmoglobin

25 November 2018

1 reference

12 December 2020

Ultrafast rotation and trapping of carbon monoxide dissociated from myoglobin

1 reference

12 December 2020

An x-ray study of azide methaemoglobin

1 reference

12 December 2020

Dynamics of ligand binding to myoglobin

1 reference

12 December 2020

Binding of CO to myoglobin from a heme pocket docking site to form nearly linear Fe-C-O

1 reference

12 December 2020

Dynamics of ligand binding to heme proteins

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.0405295101

1 reference

21 August 2017

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1 reference

21 August 2017

PubMed publication ID

15489270

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