Efficiency of exchange schemes in replica exchange
Lingenheil, Martin, Denschlag, Robert, Mathias, Gerald, Tavan, Paul
Published in Chemical physics letters (17.08.2009)
Published in Chemical physics letters (17.08.2009)
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Journal Article
Light-triggered β-hairpin folding and unfolding
Schrader, Tobias E, Schreier, Wolfgang J, Cordes, Thorben, Koller, Florian O, Babitzki, Galina, Denschlag, Robert, Renner, Christian, Löweneck, Markus, Dong, Shou-Liang, Moroder, Luis, Tavan, Paul, Zinth, Wolfgang
Published in Proceedings of the National Academy of Sciences - PNAS (02.10.2007)
Published in Proceedings of the National Academy of Sciences - PNAS (02.10.2007)
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Journal Article
Optimal temperature ladders in replica exchange simulations
Denschlag, Robert, Lingenheil, Martin, Tavan, Paul
Published in Chemical physics letters (29.04.2009)
Published in Chemical physics letters (29.04.2009)
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Journal Article
Simulated Solute Tempering
Denschlag, Robert, Lingenheil, Martin, Tavan, Paul, Mathias, Gerald
Published in Journal of chemical theory and computation (13.10.2009)
Published in Journal of chemical theory and computation (13.10.2009)
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Journal Article
Highly polar environments catalyze the unfolding of PrPC helix 1
Lingenheil, Martin, Denschlag, Robert, Tavan, Paul
Published in European biophysics journal (01.07.2010)
Published in European biophysics journal (01.07.2010)
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Journal Article
Highly polar environments catalyze the unfolding of PrP super(C) helix 1
Lingenheil, Martin, Denschlag, Robert, Tavan, Paul
Published in European biophysics journal (01.07.2010)
Published in European biophysics journal (01.07.2010)
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Journal Article
Relaxation time prediction for a light switchable peptide by molecular dynamics
DENSCHLAG, Robert, SCHREIER, Wolfgang J, RIEFF, Benjamin, SCHRADER, Tobias E, KOLLER, Florian O, MORODER, Luis, ZINTH, Wolfgang, TAVAN, Paul
Published in Physical chemistry chemical physics : PCCP (21.06.2010)
Published in Physical chemistry chemical physics : PCCP (21.06.2010)
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Journal Article
Relaxation time prediction for a light switchable peptide by molecular dynamicsElectronic supplementary information (ESI) available: 7 tables, 7 figures, and a text explaining the additional material. The convergence of the REST simulations is illustrated by Fig. S12 and the differences induced into the free-energy landscapes of cAPB at 300 K (cf. Fig. 3) by the two force fields are discussed. The proton distances relevant for comparisons of NMR and REST simulation data are listed in Tables S4 a
Denschlag, Robert, Schreier, Wolfgang J, Rieff, Benjamin, Schrader, Tobias E, Koller, Florian O, Moroder, Luis, Zinth, Wolfgang, Tavan, Paul
Year of Publication 03.06.2010
Year of Publication 03.06.2010
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Journal Article
Highly polar environments catalyze the unfolding of PrP C helix 1
Lingenheil, Martin, Denschlag, Robert, Tavan, Paul
Published in European biophysics journal (01.07.2010)
Published in European biophysics journal (01.07.2010)
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Journal Article