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NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges.
J Cheminform. 2016 Oct 17;8:57. doi: 10.1186/s13321-016-0171-1. eCollection 2016.
J Cheminform. 2016.
PMID: 27803746
Free PMC article.
Nonlinear vs. linear biasing in Trp-cage folding simulations.
Spiwok V, Oborský P, Pazúriková J, Křenek A, Králová B.
Spiwok V, et al. Among authors: pazurikova j.
J Chem Phys. 2015 Mar 21;142(11):115101. doi: 10.1063/1.4914828.
J Chem Phys. 2015.
PMID: 25796266
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Reducing the number of mean-square deviation calculations with floating close structure in metadynamics.
Pazúriková J, Křenek A, Spiwok V, Šimková M.
Pazúriková J, et al.
J Chem Phys. 2017 Mar 21;146(11):115101. doi: 10.1063/1.4978296.
J Chem Phys. 2017.
PMID: 28330370
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