SOLUTIONS

Molecular Modeling

Nuclear Engineering Aerospace Engineering Material Engr./App. Molecular Modeling Environmental Analysis Hydrodynamic/Naval Pharmaceutical App.

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 Solutions for large highly charged biomolecular systems using the nonlinear Poisson-Boltzmann equation implemented on adaptive Cartesian grids. Fast Poisson-Boltzmann (FPB) Software Product - read more ... For further information, contact CDI at info@continuum-dynamics.com.