Dear users.I'm comparing surface charge of a structure with its homologous (85% seq ID), and noted that APBS suggest completely opposite charge distribution (exactly what I expected, since despite its similarity molecules have opposite biochemical profile)
But since molecules are quite similar, I'm not convinced that charge distribution can be that different.Considering that AA is basically the same, what other factors can be influencing APBS charge calculations? (Ex: rotamers position, crystal packing, crystallization conditions, etc) best, Andre Godoy IFSC - University of Sao Paulo - Brazil
