Variationally Enhanced Sampling
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Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/978-3-319-44677-6_50
Reference38 articles.
1. Abrams CF, Vanden-Eijnden E (2010) Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics. Proc Natl Acad Sci USA 107(11):4961–4966. https://doi.org/10.1073/pnas.0914540107
2. Curran Associates;F Bach,2013
3. Barducci A, Bussi G, Parrinello M (2008) Well-tempered metadynamics: a smoothly converging and tunable free-energy method. Phys Rev Lett 100(2):020603
4. Bilionis I, Koutsourelakis P (2012) Free energy computations by minimization of Kullback–Leibler divergence: an efficient adaptive biasing potential method for sparse representations. J Comput Phys 231(9):3849–3870. https://doi.org/10.1016/j.jcp.2012.01.033
5. Bussi G, Gervasio FL, Laio A, Parrinello M (2006) Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics. J Am Chem Soc 128(41):13435–13441. https://doi.org/10.1021/ja062463w
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