CDI has been actively developing analysis software in the field of Molecular Modeling for more than a decade. Our specialties include solving: (i) the linear Poisson-Boltzmann equation using fast boundary element methods and (ii) solving the nonlinear Poisson-Boltzmann equation using novel Cartesian grids. read more...
FinO basic protein (PDB entry: 1DVO)
Color map range: (-6.8,0,+6.8) - 101,794 boundary elements
Mapping of the electrostatic potential (in kBT/e=0.59 kcal/mol/e) on the surface of the FinO basic protein and surviving molecules at 100 mM NaCl, computed with CDI's FPB code. Color maps are in GRASP notation with negative regions colored red, zero potential colored white and positive regions colored blue.
Molecular Modeling Solutions
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