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Electrostatics & Brownian Dynamics Simulation

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(TM) 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, Biochemistry & Biotechnology.

QUANTA is a Trademark of Molecular Simulations Inc.

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