Structural Biology Software Database
Structural Biology Software Database

Application Index Record

Category: Molecular Dynamics
UHBD (University of Houston Brownian Dynamics)
Last Update: 02-06-2001

The UHBD (University of Houston Brownian Dynamics) program is capable of solving the linearized and non-linear Poisson-Boltzmann equation using a finite-difference method. In addition, the program can be used to perform Brownian dynamics calculations for steady and non-steady state rate constants of encounter of a substrate/inhibitor with a target (enzyme). The UHBD code can also be used to perform stochastic dynamics calculations or molecular mechanics energy minimizations using the Poisson-Boltzmann and/or other molecular mechanics forces. The program also has the capability to compute electrostatic free energies of binding of two molecules and can include the non-electrostatic surface area changes and how that affects the energy.


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