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Multicanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.
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Enhanced and effective conformational sampling of protein molecular systems for their free energy landscapes.
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Investigating the folding mechanism of the N-terminal domain of ribosomal protein L9.
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Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.
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Enhanced sampling simulations to construct free-energy landscape of protein-partner substrate interaction.
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Effective sampling in the configurational space of a small peptide by the multicanonical-multioverlap algorithm.
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GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.
J Chem Theory Comput. 2008 Mar;4(3):435-47. doi: 10.1021/ct700301q.
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P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation.
J Chem Theory Comput. 2008 Jan;4(1):116-22. doi: 10.1021/ct700200b.
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Modeling Structural Flexibility of Proteins with Go-Models.
J Chem Theory Comput. 2012 Jun 12;8(6):2127-2133. doi: 10.1021/ct3000469.
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Enhanced and effective conformational sampling of protein molecular systems for their free energy landscapes.
Biophys Rev. 2012 Mar;4(1):27-44. doi: 10.1007/s12551-011-0063-6. Epub 2012 Jan 11.
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Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39).
J Am Chem Soc. 2010 Feb 10;132(5):1526-8. doi: 10.1021/ja9090353.
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Long-timescale molecular dynamics simulations of protein structure and function.
Curr Opin Struct Biol. 2009 Apr;19(2):120-7. doi: 10.1016/j.sbi.2009.03.004. Epub 2009 Apr 8.
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Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations.
Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Oct;70(4 Pt 2):046701. doi: 10.1103/PhysRevE.70.046701. Epub 2004 Oct 4.

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