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.
Jo Ellen Collins
Dir., Inside Sales/Mar Com
Molecular Simulations, Inc.
16 New England Executive Park
Burlington, MA 01803
USA
617-229-9800
617-229-9899 (fax)
jcollins@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, Scientific Visualization, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
QUANTA is a Trademark of Molecular Simulations Inc.
