A curvilinear-path umbrella sampling approach to characterizing the interactions between rapamycin and three fkbp12 variants

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• who: A Curvilinear-Path Umbrella Sampling and colleagues from the Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan, Institut de Biologie de l`Ecole Normale Supu00e9rieure, ENS, CNRS, INSERM, PSL Research University, Paris, France, Institute of Biomedical Sciences, Academia Sinica, Taipei have published the research: A Curvilinear-Path Umbrella Sampling Approach to Characterizing the Interactions Between Rapamycin and Three FKBP12 Variants, in the Journal: (JOURNAL)
• what: A reliable estimation of the free_energy difference between thermodynamically well-defined end states of interacting molecules is one of the major goals of computational biophysics. The authors first . . .
  

   

  

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