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Hoffmann, Falk, Strodel, Birgit (2013) Protein structure prediction using global optimization by basin-hopping with NMR shift restraints. The Journal of Chemical Physics, 138 (2). 25102pp. doi:10.1063/1.4773406

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Reference TypeJournal (article/letter/editorial)
TitleProtein structure prediction using global optimization by basin-hopping with NMR shift restraints
JournalThe Journal of Chemical Physics
AuthorsHoffmann, FalkAuthor
Strodel, BirgitAuthor
Year2013 (January 14)Volume138
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4773406Search in ResearchGate
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Mindat Ref. ID2359757Long-form Identifiermindat:1:5:2359757:2
GUID0
Full ReferenceHoffmann, Falk, Strodel, Birgit (2013) Protein structure prediction using global optimization by basin-hopping with NMR shift restraints. The Journal of Chemical Physics, 138 (2). 25102pp. doi:10.1063/1.4773406
Plain TextHoffmann, Falk, Strodel, Birgit (2013) Protein structure prediction using global optimization by basin-hopping with NMR shift restraints. The Journal of Chemical Physics, 138 (2). 25102pp. doi:10.1063/1.4773406
In(2013, January) The Journal of Chemical Physics Vol. 138 (2) AIP Publishing

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Prentiss, Michael C., Wales, David J., Wolynes, Peter G. (2008) Protein structure prediction using basin-hopping. The Journal of Chemical Physics, 128 (22). 225106pp. doi:10.1063/1.2929833
Matyushov, Dmitry V. (2013) Protein electron transfer: Dynamics and statistics. The Journal of Chemical Physics, 139 (2). 25102pp. doi:10.1063/1.4812788
Banerjee, Atreyee, Jasrasaria, Dipti, Niblett, Samuel P., Wales, David J. (2021) Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization. The Journal of Physical Chemistry A, 125 (17) 3776-3784 doi:10.1021/acs.jpca.1c00903
McCoy, Mark A., Wyss, Daniel F. (2002) Structures of Protein−Protein Complexes Are Docked Using Only NMR Restraints from Residual Dipolar Coupling and Chemical Shift Perturbations. Journal Of The American Chemical Society, 124 (10) 2104-2105 doi:10.1021/ja017242z
Shang, C., Wales, D. J. (2014) Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics. The Journal of Chemical Physics, 141 (7). 71101pp. doi:10.1063/1.4893344
Soncini, Alessandro, Van den Heuvel, Willem (2013) Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting. The Journal of Chemical Physics, 138 (2). 21103pp. doi:10.1063/1.4775809
Van den Heuvel, Willem, Soncini, Alessandro (2013) NMR chemical shift as analytical derivative of the Helmholtz free energy. The Journal of Chemical Physics, 138 (5). 54113pp. doi:10.1063/1.4789398
Paleico, Martín Leandro, Behler, Jörg (2020) A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo. The Journal of Chemical Physics, 152 (9). 94109pp. doi:10.1063/1.5142363
Amsler, Maximilian, Goedecker, Stefan (2010) Crystal structure prediction using the minima hopping method. The Journal of Chemical Physics, 133 (22). 224104pp. doi:10.1063/1.3512900
Strodel, Birgit, Stock, Gerhard (2006) Quantum modeling of transient infrared spectra reflecting photoinduced electron-transfer dynamics. The Journal of Chemical Physics, 124 (11). 114105pp. doi:10.1063/1.2166629
Do, Hainam, Besley, Nicholas A. (2012) Structural optimization of molecular clusters with density functional theory combined with basin hopping. The Journal of Chemical Physics, 137 (13). 134106pp. doi:10.1063/1.4755994
 
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