This software assesses the electrostatic attributes of nanoscale biomolecular systems.
Continuum electrostatics, which is the foundation of APBS, plays a vital role in a range of biomolecular simulation applications, including the simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics. Additionally, APBS enables implicit solvent molecular dynamics of biomolecules, solvation, and binding energy calculations. These calculations assist in determining ligand-protein and protein-protein equilibrium binding constants to aid in rational drug design. Finally, the tool is used for biomolecular titration studies.
It's worth noting that APBS is distributed under a dual licensing scheme: the BSD License and MIT License. This ensures that individuals and organizations can use the software in a way that best meets their unique needs while remaining compliant with the various license requirements. Overall, APBS delivers a powerful, comprehensive solution for modeling electrostatic interactions in a range of biological systems.
Version 1.1.0: N/A