Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities

scientific article published on 22 April 2005

Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1529/BIOPHYSJ.104.055020
P8608Fatcat IDrelease_ypauffmw6fdktfu72hkklrz2t4
P932PMC publication ID1366547
P698PubMed publication ID15849248
P5875ResearchGate publication ID7888901

P50authorBeatrice ValloneQ56440841
Isabella DaidoneQ57014961
Andrea AmadeiQ57526745
Alfredo Di NolaQ114405899
Maurizio BrunoriQ33274063
Cecilia BossaQ45919012
Massimiliano AnselmiQ47502233
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Kinetic proofreading by the cavity system of myoglobin: protection from poisoningQ47838686
Quantum chemical evaluation of protein control over heme ligation: CO/O2 discrimination in myoglobin.Q50092334
Ligand migration in sperm whale myoglobin.Q51536080
On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations.Q52206949
A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin.Q52271945
Deoxymyoglobin studied by the conformational normal mode analysis. II. The conformational change upon oxygenation.Q52468243
An extended sampling of the configurational space of HPr from E. coli.Q54577829
Nitric oxide moves myoglobin centre stageQ58070399
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A steric mechanism for inhibition of CO binding to heme proteinsQ27617938
The role of cavities in protein dynamics: Crystal structure of a photolytic intermediate of a mutant myoglobinQ27621465
Complex landscape of protein structural dynamics unveiled by nanosecond Laue crystallographyQ27641645
Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraintsQ27730769
Structure of myoglobin: A three-dimensional Fourier synthesis at 2 A. resolutionQ28300138
SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactionsQ29615882
Essential dynamics of proteinsQ29616843
Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A.Q30412998
Discovery of new ligand binding pathways in myoglobin by random mutagenesisQ30417694
Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulationsQ30834929
Protein conformational relaxation and ligand migration in myoglobin: a nanosecond to millisecond molecular movie from time-resolved Laue X-ray diffractionQ31029767
Myoglobin: the hydrogen atom of biology and a paradigm of complexityQ31149692
The structural dynamics of myoglobinQ33207354
Formation of two hydrogen bonds from the globin to the heme-linked oxygen molecule in Ascaris hemoglobinQ35060503
CO migration in native and mutant myoglobin: atomistic simulations for the understanding of protein functionQ37646407
Comparison of the dynamics of myoglobin in different crystal formsQ39624704
Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobinQ40285392
The consistency of large concerted motions in proteins in molecular dynamics simulationsQ41952660
Mapping the pathways for O2 entry into and exit from myoglobin.Q43507874
Watching a protein as it functions with 150-ps time-resolved x-ray crystallographyQ44484615
The origin of stark splitting in the initial photoproduct state of MbCO.Q45210928
P433issue1
P407language of work or nameEnglishQ1860
P304page(s)465-474
P577publication date2005-04-22
P1433published inBiophysical JournalQ2032955
P1476titleMolecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities
P478volume89

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cites work (P2860)
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