Theoretical 3d electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank

HIGHLIGHTS

• who: from the Biological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Zwirki i Wigury United Kingdom have published the Article: Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank, in the Journal: (JOURNAL)
• what: The authors calculate the electrostatic potential maps using TAAM, based on the UBDB atom types, and the authors compare these maps with those calculated with IAM and with the maps deposited in the RCSB PDB for the same structures. The second approach focused on the reciprocal-space information, with detailed analysis . . .
  

   

  

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