Biblio
Found 48 results
Filters: Keyword is Protein Folding [Clear All Filters]
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2015. Weighted distance functions improve analysis of high-dimensional data: Application to molecular dynamics simulations. Journal of Chemical Theory and Computation. 11(11):5481-5492.
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2014. High-resolution visualisation of the states and pathways sampled in molecular dynamics simulations. Scientific Reports. 4:6264.
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2014. Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure. Structure. 22(7):985-995.
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2013. New insights into the folding of a β-sheet miniprotein in a reduced space of collective hydrogen bond variables: Application to a hydrodynamic analysis of the folding flow. The Journal of Physical Chemistry B. 117(20):6092-6105.
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2012. Complexity in protein folding: Simulation meets experiment. Current Physical Chemistry. 2(1):4-11.
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2012. Ultrametricity in protein folding dynamics. Journal of Chemical Theory and Computation. 8(5):1580-1588.
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2011. Delineation of folding pathways of a β-sheet miniprotein. The Journal of Physical Chemistry B. 115(44):13065-13074.
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2011. Equilibrium distribution from distributed computing (simulations of protein folding). The Journal of Physical Chemistry B. 115(19):6358-6365.
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2011. The free energy landscape of small molecule unbinding. PLoS Computational Biology. 7(2):e1002002.
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2010. 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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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. How does a simplified-sequence protein fold? Biophys J. 97(6):1737-1746.
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2009. Identification of the protein folding transition state from molecular dynamics trajectories. Journal of Chemical Physics. 130(12):125104.
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2009. Predicting free energy changes using structural ensembles. Nat Methods. 6(1):3-4.
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2008. 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. Kinetic analysis of molecular dynamics simulations reveals changes in the denatured state and switch of folding pathways upon single-point mutation of a beta-sheet miniprotein. Proteins: Structure, Function, and Bioinformatics. 70(4):1185-1195.
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2008. One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: New insights into the folding process. The Journal of Physical Chemistry B. 112(29):8701-8714.
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2007. Complex network analysis of free-energy landscapes. Proceedings of the National Academy of Sciences of the United States of America. 104(6):1817-1822.
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2007. Computational analysis of the S. cerevisiae proteome reveals the function and cellular localization of the least and most amyloidogenic proteins. Proteins: Structure, Function, and Bioinformatics. 68(1):273-278.
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2007. Estimation of folding probabilities and Phi values from molecular dynamics simulations of reversible peptide folding. Protein Folding Protocols. :225-249.
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2006. Network and graph analyses of folding free energy surfaces. Current Opinion in Structural Biology. 16(1):71-78.
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2006. Sequential unfolding of individual helices of bacterioopsin observed in molecular dynamics simulations of extraction from the purple membrane. Biophysical Journal. 91(9):3276-3284.