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Blind test of physics-based prediction of protein structures.
Shell MS, Ozkan SB, Voelz V, Wu GA, Dill KA. Shell MS, et al. Biophys J. 2009 Feb;96(3):917-24. doi: 10.1016/j.bpj.2008.11.009. Biophys J. 2009. PMID: 19186130 Free PMC article.
Predicting peptide structures in native proteins from physical simulations of fragments.
Voelz VA, Shell MS, Dill KA. Voelz VA, et al. PLoS Comput Biol. 2009 Feb;5(2):e1000281. doi: 10.1371/journal.pcbi.1000281. Epub 2009 Feb 6. PLoS Comput Biol. 2009. PMID: 19197352 Free PMC article.
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39).
Voelz VA, Bowman GR, Beauchamp K, Pande VS. Voelz VA, et al. J Am Chem Soc. 2010 Feb 10;132(5):1526-8. doi: 10.1021/ja9090353. J Am Chem Soc. 2010. PMID: 20070076 Free PMC article.
Taming the complexity of protein folding.
Bowman GR, Voelz VA, Pande VS. Bowman GR, et al. Curr Opin Struct Biol. 2011 Feb;21(1):4-11. doi: 10.1016/ Curr Opin Struct Biol. 2011. PMID: 21081274 Free PMC article. Review.
Atomistic folding simulations of the five-helix bundle protein λ(6−85).
Bowman GR, Voelz VA, Pande VS. Bowman GR, et al. J Am Chem Soc. 2011 Feb 2;133(4):664-7. doi: 10.1021/ja106936n. J Am Chem Soc. 2011. PMID: 21174461 Free PMC article.
Markov state model reveals folding and functional dynamics in ultra-long MD trajectories.
Lane TJ, Bowman GR, Beauchamp K, Voelz VA, Pande VS. Lane TJ, et al. J Am Chem Soc. 2011 Nov 16;133(45):18413-9. doi: 10.1021/ja207470h. Epub 2011 Oct 26. J Am Chem Soc. 2011. PMID: 21988563 Free PMC article.
Slow unfolded-state structuring in Acyl-CoA binding protein folding revealed by simulation and experiment.
Voelz VA, Jäger M, Yao S, Chen Y, Zhu L, Waldauer SA, Bowman GR, Friedrichs M, Bakajin O, Lapidus LJ, Weiss S, Pande VS. Voelz VA, et al. J Am Chem Soc. 2012 Aug 1;134(30):12565-77. doi: 10.1021/ja302528z. Epub 2012 Jul 19. J Am Chem Soc. 2012. PMID: 22747188 Free PMC article.
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