Biblio
Found 28 results
Filters: Author is Caflisch, A. and Keyword is Peptides [Clear All Filters]
Peptide binding to a PDZ domain by electrostatic steering via nonnative salt bridges. Biophysical Journal. 108(9):2362-2370.
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2015. Photocontrol of reversible amyloid formation with a minimal-design peptide. The Journal of Physical Chemistry B. 116(30):8961-8973.
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2012. Delineation of folding pathways of a β-sheet miniprotein. The Journal of Physical Chemistry B. 115(44):13065-13074.
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2011. Dynamics in the active site of β-secretase: A network analysis of atomistic simulations. Biochemistry. 50(43):9328-9339.
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2011. Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Journal of Computational Chemistry. 32(6):1183-1194.
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2011. 2D-IR study of a photoswitchable isotope-labeled alpha-helix. The Journal of Physical Chemistry B. 114(10):3735-3740.
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2010. Extracting physically intuitive reaction coordinates from transition networks of a beta-sheet miniprotein. The Journal of Physical Chemistry B. 114(20):6979-6989.
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2010. Free energy surfaces from single-distance information. The Journal of Physical Chemistry B. 114(46):15227-15235.
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2010. Slow folding of cross-linked alpha-helical peptides due to steric hindrance. The Journal of Physical Chemistry B. 114(5):2023-2027.
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2010. Amyloid aggregation on lipid bilayers and its impact on membrane permeability. J. Mol. Biol.. 387(2):407-415.
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2009. Bulky side chains and non-native salt bridges slow down the folding of a cross-linked helical peptide: A combined molecular dynamics and time-resolved infrared spectroscopy study. The Journal of Physical Chemistry B. 113(13):4435-4442.
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2009. CHARMM: The biomolecular simulation program. Journal of Computational Chemistry. 30(10):1545-1614.
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2009. Alpha-Helix folding in the presence of structural constraints. Proceedings of the National Academy of Sciences of the United States of America. 105(28):9588-9593.
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2008. Designed armadillo repeat proteins as general peptide-binding scaffolds: Consensus design and computational optimization of the hydrophobic core. Journal of Molecular Biology. 376(5):1282-1304.
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2008. FACTS: Fast analytical continuum treatment of solvation. Journal of Computational Chemistry. 29(5):701-715.
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2008. Factor XIII activation peptide is released into plasma upon cleavage by thrombin and shows a different structure compared to its bound form. Thrombosis and Haemostasis. 97(6):890-898.
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2007. Computational models for the prediction of polypeptide aggregation propensity. Current Opinion in Chemical Biology. 10(5):437-444.
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2006. Interpreting the aggregation kinetics of amyloid peptides. Journal of Molecular Biology. 360(4):882-892.
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2006. Estimation of protein folding probability from equilibrium simulations. Journal of Chemical Physics. 122(18):184901.
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2005. The protein folding network. Journal of Molecular Biology. 342(1):299-306.
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2004. Analysis of the distributed computing approach applied to the folding of a small β peptide. Proceedings of the National Academy of Sciences of the United States of America. 100(14):8217-8222.
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2003. Weak temperature dependence of the free energy surface and folding pathways of structured peptides.. Proteins: Structure, Function, and Bioinformatics. 47(3):305-314.
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2002. An evolutionary approach for structure-based design of natural and non-natural peptidic ligands. Combinatorial Chemistry & High Throughput Screening. 4(8):661-673.
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2001. Native topology or specific interactions: What is more important for protein folding? Journal of Molecular Biology. 306(4):837-850.
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2001. Computer simulations of protein folding by targeted molecular dynamics. Proteins: Structure, Function, and Bioinformatics. 39(3):252-260.
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