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SpinEvolution specifications

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Unique identifier OMICS_03385
Name SpinEvolution
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes

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Publication for SpinEvolution

SpinEvolution in publications

 (5)
PMCID: 5458082
PMID: 28537272
DOI: 10.1038/ncomms15462

[…] and ccpnmr analysis, with the error in the intensities evaluated based on the noise peaks present in empty spectral regions. numerical simulations of the dipshift experiments were performed with the spinevolution programme. chemical shift referencing to 4,4-dimethyl-4-silapentane-1-sulfonic acid (for 13c) was performed by indirect referencing via the 13c signals of adamantane. secondary shift […]

PMCID: 4211650
PMID: 25280367
DOI: 10.1021/bi501010q

[…] incrementation of an r1817 symmetry sequence (89 khz rf power), at the expense of 100 khz continuous wave 1h decoupling. the experimental data curves were analyzed using numerical simulations with spinevolution, optimizing both the (apparent) n–h distance and exponential damping during the r sequence mixing time. the apparent n–h distances were converted into dipolar coupling constants (in […]

PMCID: 3905693
PMID: 24489976
DOI: 10.1021/jp410429k

[…] a static probe with a solid echo pulse excitation (62 khz nutation frequency; 30 s relaxation delay). mas spinning frequencies are specified in the figure captions. spectra were fit using either spinevolution spin dynamics simulation program or the line shape analysis tool in the bruker software topspin., in order to identify the electrochemical products formed in the cathode, we first […]

PMCID: 3695532
PMID: 23589073
DOI: 10.1039/c3cp50787d

[…] dipolar couplings, quadrupole interaction and higher-second quadrupole–dipole terms.,, the result is a complicated density operator. it has been verified by means of numerical simulations using spinevolution that both 14n single quantum (tn1±1 and tn2±1) and double quantum (tn2±2) terms are generated with efficiencies well in excess of 20% with respect to the initial equilibrium […]

PMCID: 3089984
PMID: 21456595
DOI: 10.1021/bm101486s

[…] to facilitate stable spinning of samples in the 3.2 mm rotors, wise experiments were carried out at an mas spinning speed of 10 khz. simulations of the 1h dipolar spectra were carried out using spinevolution.(), on the basis of reported molecular dynamics simulations of peptides composed of modified hydrophobic repeat sequences of human elastin,() we predicted that the peptide sequence […]


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SpinEvolution institution(s)
Department of Chemistry, MIT/Harvard Center for Magnetic Resonance, Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, MA, USA

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