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MDexciteR: Enhanced Sampling Molecular Dynamics by Excited Normal Modes or Principal Components Obtained from

Mauricio G S Costa1,2, Paulo R Batista1, Antoniel Gomes3

  • 1Programa de Computação Científica, Vice-Presidência de Educação Informação e Comunicação, Fundação Oswaldo Cruz, Av. Brasil 4365, Residência Oficial, Manguinhos, 21040-900Rio de Janeiro, Brasil.

Journal of Chemical Theory and Computation
|January 9, 2023
PubMed

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