Browsing by Author "Druart, Karen"

Now showing items 1-3 of 3

    • Article  

      Computational protein design: The proteus software and selected applications 

      Simonson, Thomas; Gaillard, Thomas; Mignon, David; Schmidt, am Busch; Lopes, Anne; Amara, Najette; Polydorides, Savvas; Sedano, Audrey; Druart, Karen; Archontis, Georgios Z. (2013)
    • Article  

      Computational protein design: The proteus software and selected applications 

      Simonson, T.; Gaillard, T.; Mignon, D.; Schmidt Am Busch, M.; Lopes, A.; Amara, Najette; Polydorides, Savvas; Sedano, A.; Druart, Karen; Archontis, Georgios Z. (2013)
      We describe an automated procedure for protein design, implemented in a flexible software package, called Proteus. System setup and calculation of an energy matrix are done with the XPLOR modeling program and its sophisticated ...
    • Article  

      Proteus and the design of ligand binding sites 

      Polydorides, Savvas; Michael, E.; Mignon, D.; Druart, Karen; Archontis, Georgios Z.; Simonson, T. (2016)
      This chapter describes the organization and use of Proteus, a multitool computational suite for the optimization of protein and ligand conformations and sequences, and the calculation of pKα shifts and relative binding ...