Electrostatics & Brownian Dynamics Simulation computes electrostatics in ionic solution using the Poisson-Boltzmann equation. Such interactions are dominant in many molecular processes, especially those affecting diffusion within a molecular system. Brownian dynamics can be used to examine these diffusional processes, including rates for diffusion of ligands to active sites in enzymes or the motion of critical loops on a protein surface. An optional module in QUANTA allows visualization of electrostatic maps and diffusion trajectories.
Brenda Pfeiffer
Director, Marketing Communications
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121-3752
USA
619-546-5319
619-458-0136 (fax)
blp@msi.com
For applications in related solution areas, see the following indices:
Bioengineering,
Biology,
Chemical Engineering,
Computational Chemistry,
Molecular Biology,
Molecular Modeling,
Physics, the developer index for Molecular Simulations Inc.
and the product category index for Chemistry, Biochem, Biotechnology.