(Q40155917)

18 September 2017

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

1 reference

18 September 2017

Rovira C

1

1 reference

PMCID

1300620

18 September 2017

Parrinello M

series ordinal

2

1 reference

PMCID

1300620

18 September 2017

language of work or name

English

0 references

publication date

1 January 2000

1 reference

18 September 2017

1 reference

18 September 2017

78

1 reference

18 September 2017

1

1 reference

18 September 2017

93-100

1 reference

Unified Approach for Molecular Dynamics and Density-Functional Theory

18 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Structural factors controlling ligand binding to myoglobin: a kinetic hole-burning study

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Crystal structure of photolysed carbonmonoxy-myoglobin

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Structure and refinement of oxymyoglobin at 1.6 A resolution

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Neutron diffraction reveals oxygen–histidine hydrogen bond in oxymyoglobin

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Structure of human oxyhaemoglobin at 2.1 A resolution

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Kinetic pathways and barriers for ligand binding to myoglobin

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

Neutron diffraction study of carbonmonoxymyoglobin

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300620

The role of entropy in the discrimination between CO and O2 in myoglobin

17 June 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

Perturbation of the Fe−O2Bond by Nearby Residues in Heme Pocket: Observation of νFe-O2Raman Bands for Oxymyoglobin Mutants

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

Non-linearity of hydrogen bonds in molecular crystals

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

Nonlinear ionic pseudopotentials in spin-density-functional calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

Fixation of the 2-Methylimidazole Ligand and Anomalous Pyrrole Chemical Shifts in Bis(2-methylimidazole)(meso-tetraalkylporphyrinato)iron(III) Chloride Caused by the Nonplanar Porphyrin Ring

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

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%2800%2976575-1

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%2800%2976575-1

Structural characterization of the myoglobin active site using infrared crystallography

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

The iron–oxygen bond in human oxyhaemoglobin

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

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%2800%2976575-1

Efficient pseudopotentials for plane-wave calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976575-1

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%2800%2976575-1

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%2800%2976575-1

10.1016/S0006-3495(00)76575-1

7 January 2021

Identifiers

DOI

1 reference

18 September 2017

1 reference

18 September 2017

1 reference

PMCID

1300620