Stochastic Methods for Magnetic Resonance Spectroscopies
A. Polimeno, V. Barone, and J.H. Freed.
In Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems; V. Barone, Ed.
Wiley: New York, NY, 2012; Chapter 12.
PMID: [None - Book]      PMCID: [None - Book]
 

A New Lanczos-Based Algorithm for Simulating High-Frequency Two-Dimensional Electron Spin Resonance Spectra
Y.-W. Chiang and J.H. Freed.
J. Chem. Phys. 134, 034112 (2011).
<doi:10.1063/1.3523576>
PMID: 21261335      PMCID: PMC3041155
 

Comment on "The Physical Basis of Model-Free Analysis of NMR Relaxation Data from Proteins and Complex Fluids" [J. Chem. Phys. 131, 224507, 2009]
E. Meirovitch, A. Polimeno, and J.H. Freed.
J. Chem. Phys. 132, 207101 (2010).
<doi:10.1063/1.3429599>
PMID: 20515116      PMCID: PMC2887917
 

Calculation of Double-Quantum-Coherence Two-dimensional Spectra: Distance Measurements and Orientational Correlations
S.K. Misra, P.P. Borbat, J.H. Freed.
Appl. Magn. Reson. 36, 237-258 (2009).
<doi:10.1007/s00723-009-0023-5>
PMID: 20161423      PMCID: PMC2786184
 

Multifrequency Electron Spin Resonance Spectra of a Spin-Labeled Protein Calculated from Molecular Dynamics Simulations
D. Sezer, J.H. Freed, and B. Roux.
J. Am. Chem. Soc. 131, 2597-2605 (2009).
Supporting Information
<doi:10.1021/ja8073819>
PMID: 19191603      PMCID: PMC2763593
 

Using Markov Models to Simulate Electron Spin Resonance Spectra from Molecular Dynamics Trajectories
D. Sezer, J.H. Freed, and B. Roux.
J. Phys. Chem. B 112, 11014-11027 (2008).
<doi:10.1021/jp801608v>
PMID: 18698714      PMCID: PMC2562300
 

Parametrization, Molecular Dynamics Simulation, and Calculation of Electron Spin Resonance Spectra of a Nitroxide Spin Label on a Polyalanine α-Helix
D. Sezer, J.H. Freed, B. Roux.
J. Phys. Chem. B 112, 5755-5767 (2008).
Supporting Information
<doi:10.1021/jp711375x>
PMID: 18412413      PMCID: PMC2766176
 

Simulating Electron Spin Resonance Spectra of Nitroxide Spin Labels from Molecular Dynamics and Stochastic Trajectories
D. Sezer, J.H. Freed, and B. Roux.
J. Chem. Phys. 128, 165106, (2008).
<doi:10.1063/1.2908075>
PMID: 18447510      PMCID: PMC2809671
 

2D-ELDOR Using Full S_c- Fitting and Absorption Lineshapes
Y.-W. Chiang, A. Costa-Filho, J.H. Freed.
J. Magn. Reson. 188, 231-245 (2007).
<doi:10.1016/j.jmr.2007.06.014>
PMID: 17681478     
 

Modeling the Effects of Structure and Dynamics of the Nitroxide Side Chain on the ESR Spectra of Spin-Labeled Proteins
F. Tombolato, A. Ferrarini, and J.H. Freed.
J. Phys. Chem. B 110, 26260-26271 (2006).
<doi:10.1021/jp064028u>
PMID: 17181284      PMCID: PMC2885803
 

Dynamics of the Nitroxide Side Chain in Spin-Labeled Proteins
F. Tombolato, A. Ferrarini, and J.H. Freed.
J. Phys. Chem. B 110, 26248-26259 (2006).
<doi:10.1021/jp0629487>
PMID: 17181283      PMCID: PMC2883179
 

Effects of Finite Pulse Width on Two-Dimensional Fourier Transform Electron Spin Resonance
Z. Liang, R.H. Crepeau, J.H. Freed.
J. Magn. Reson. 177, 247-260 (2005).
<doi:10.1016/j.jmr.2005.07.024>
PMID: 16150620     
 

Maximum Entropy: A Complement to Tikhonov Regularization for Determination of Pair Distance Distributions by Pulsed ESR
Y.-W. Chiang, P.P. Borbat, J.H. Freed.
J. Magn. Reson. 177, 184-196 (2005).
PMID: 16137901     
 

The Determination of Pair Distance Distributions by Pulsed ESR Using Tikhonov Regularization
Y.-W. Chiang, P.P. Borbat, J.H. Freed.
J. Magn. Reson. 172, 279-295 (2005).
<doi:10.1016/j.jmr.2004.10.012>
PMID: 15649755     
 

A Multifrequency Electron Spin Resonance Study of T4 Lysozyme Dynamics Using the Slowly Relaxing Local Structure Model
Z. Liang, Y. Lou, J.H. Freed, L. Columbus and W.L. Hubbell.
J. Phys. Chem. B 108, 17649-17659 (2004).
<doi:10.1021/jp0484837>
 

End-to-End Correlation for a C-12 Hydrocarbon Chain
S. Wagner, A.A. Nevzorov, J.H. Freed, and R.G. Bryant.
J. Magn. Reson. 160, 161-165 (2003)
<doi:10.1016/S1090-7807(02)00143-X>
PMID: 12615159     
 

Phase Relaxation in a Many-Body System of Diffusing Spins: Slow Motional Limit
A.A. Nevzorov and J.H. Freed.
J. Chem. Phys. 117, 282-287 (2002).
<doi:10.1063/1.1481764>
 

A Many-Body Analysis of the Effects of the Matrix Protons and their Diffusional Motion on Electron Spin Resonance Line Shapes and Electron Spin Echoes
A.A. Nevzorov and J.H. Freed.
J. Chem. Phys. 115, 2416-2429 (2001)
<doi:10.1063/1.1382817>
 

Direct-Product Formalism for Calculating Magnetic Resonance Signals in Many-Body Systems of Interacting Spins
A.A. Nevzorov and J.H. Freed.
J. Chem. Phys. 115, 2401-2415 (2001).
<doi:10.1063/1.1382816>
 

Double Quantum ESR and Distance Measurements
P.P. Borbat and J.H. Freed.
In Distance Measurements in Biological Systems by EPR, L.J. Berliner, S.S. Eaton, and G.R, Eaton, Eds.
Biological Magnetic Resonance 19, Chapter 9, pp. 383-459 (2000). (Kluwer, NY).
 

An Electron Spin Resonance Study of DNA Dynamics Using the Slowly Relaxing Local Structure Model
Z. Liang, J.H. Freed, R.S. Keyes and A.M. Bobst.
J. Phys. Chem. B 104, 5372-5381 (2000).
<doi:10.1021/jp994219f>
 

Dipolar Relaxation in a Many-Body System of Spins of 1/2
A.A. Nevzorov and J.H. Freed.
J. Chem. Phys. 112, 1425-1443 (2000).
<doi:10.1063/1.480709>
 

Spin Relaxation by Dipolar Coupling: From Motional Narrowing to the Rigid Limit
A.A. Nevzorov and J.H. Freed.
J. Chem. Phys. 112, 1413-1424 (2000).
<doi:10.1063/1.480695>
 

An Assessment of the Applicability of Multifrequency ESR to Study the Complex Dynamics of Biomolecules
Z. Liang and J.H. Freed.
J. Phys. Chem. B 103, 6384-6396 (1999).
<doi:10.1021/jp9907746>
 

Calculation of ESR Spectra and Related Fokker-Planck Forms by the use of the Lanczos Algorithm
G. Moro and J.H. Freed.
J. Chem. Phys. 74, 3757-3773 (1981).
<doi:10.1063/1.441604>
 

Theory of Slow Tumbling ESR Spectra for Nitroxides
J.H. Freed.
In Spin Labeling Theory and Applications, L.J. Berliner, Ed.
Academic Press: New York, 1976; Chapter 3.