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
.Marketing Specialist
MSI
9685 Scranton Road
San Diego, CA 92121-2777
USA
619-546-5319
619-458-0136 (fax)
blp@msi.com
For applications in related solution areas, see the following indices: Bioengineering, Biology, Catalyst Design, Computational Chemistry, Computer-Aided Molecular Design, Drug Discovery, Molecular Biology, Molecular Modeling, Physics, the developer index for MSI and the market segment index for Chemistry, Biochem, Biotech, Materials.
