(Q28367690)

5 July 2017

Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: a QM/MM density functional study (English)

1 reference

5 July 2017

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Rovira C

1

1 reference

5 July 2017

Schulze B

2

1 reference

5 July 2017

Eichinger M

3

1 reference

5 July 2017

Evanseck JD

4

1 reference

5 July 2017

Parrinello M

5

1 reference

5 July 2017

language of work or name

English

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publication date

1 July 2001

1 reference

5 July 2017

1 reference

5 July 2017

81

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5 July 2017

1

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5 July 2017

435-445

1 reference

Crystal structures of myoglobin-ligand complexes at near-atomic resolution

5 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

A steric mechanism for inhibition of CO binding to heme proteins

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Unified Approach for Molecular Dynamics and Density-Functional Theory

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Structural determinants of the stretching frequency of CO bound to myoglobin

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Neutron diffraction reveals oxygen–histidine hydrogen bond in oxymyoglobin

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 A resolution

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

The Energy Landscapes and Motions of Proteins

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Harmonic and anharmonic dynamics of Fe-CO and Fe-O(2) in heme models

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

The tautomeric state of histidines in myoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Theoretical study of the electrostatic and steric effects on the spectroscopic characteristics of the metal-ligand unit of heme proteins. 2. C-O vibrational frequencies, 17O isotropic chemical shifts, and nuclear quadrupole coupling constants

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Ligand binding to heme proteins. VI. Interconversion of taxonomic substates in carbonmonoxymyoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Kinetic pathways and barriers for ligand binding to myoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Ligand binding to heme proteins: III. FTIR studies of His-E7 and Val-E11 mutants of carbonmonoxymyoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Ligand binding to heme proteins: II. Transitions in the heme pocket of myoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Rebinding and relaxation in the myoglobin pocket

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Conformational substates and motions in myoglobin. External influences on structure and dynamics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Conformational interconversion in protein crystals

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Carbon monoxide and oxygen complexes of soybean leghemoglobins: pH effects upon infrared and visible spectra. Comparisons with carbon monoxide and oxygen complexes of myoglobin and hemoglobin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Glassy behavior of a protein.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Resonance raman investigations of site-directed mutants of myoglobin: effects of distal histidine replacement.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

Neutron diffraction study of carbonmonoxymyoglobin

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301523

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

27 November 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Nonlinear ionic pseudopotentials in spin-density-functional calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

All-atom empirical potential for molecular modeling and dynamics studies of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes: A Density Functional Study

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Factors Influencing Ligand-Binding Properties of Heme Models: A First Principles Study of Picket-Fence and Protoheme Complexes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Structural characterization of the myoglobin active site using infrared crystallography

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

On the significance of hydrogen bonds for the discrimination between CO and O2 by myoglobin

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Efficient pseudopotentials for plane-wave calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Deformability of Fe(II)CO and Fe(III)CN groups in heme protein models: nonlocal density functional theory calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Evidence for Hydrogen Bonding Effects in the Iron Ligand Vibrations of Carbonmonoxy Myoglobin

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975711-6

Dynamic protein structures. Effects of pH on conformer stabilities at the ligand-binding site of bovine heart myoglobin carbonyl

7 January 2021

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11423426

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/S0006-3495(01)75711-6

1 reference

5 July 2017

1 reference

5 July 2017

1 reference