A Boundary‐Integral Approach for the Poisson–Boltzmann Equation with Polarizable Force Fields
A Boundary‐Integral Approach for the Poisson–Boltzmann Equation with Polarizable Force Fields
Implicit‐solvent models are widely used to study the electrostatics in dissolved biomolecules, which are parameterized using force fields. Standard force fields treat the charge distribution with point charges; however, other force fields have emerged which offer a more realistic description by considering polarizability. In this work, we present the implementation …