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Materials Studio is software for simulating and modeling materials. It is developed and distributed by BIOVIA (formerly Accelrys), a firm specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular dynamics simulation, and quantum mechanics.
Comprehensive life science modeling and simulation suite of applications focused on optimizing drug discovery process: small molecule simulations, QM-MM, pharmacophore modeling, QSAR, protein-ligand docking, protein homology modeling, sequence analysis, protein-protein docking, antibody modeling, etc. Proprietary, trial available
Discovery Studio provides software applications covering the following areas: Simulations Including Molecular Mechanics, Molecular Dynamics, Quantum Mechanics; For molecular mechanics based simulations: Include implicit and explicit-based solvent models and membrane models; Also includes the ability to perform hybrid QM/MM calculations; Ligand ...
In 2004, Accelrys acquired SciTegic, producer of the Pipeline pilot software. [6] Accelrys managed a nanotechnology consortium producing software tools for rational nanodesign from 2004 to 2010. [7] In 2010, Symyx Technologies was merged with Accelrys. [8] In May 2011, the company acquired Contur Software AB, an electronic lab notebook software ...
Molecular Design Limited, Inc. was founded by Stuart Marson and W. Todd Wipke in 1978. [1] [2]With 15 years of research on computer synthesis at the University of California, Santa Cruz, Wipke, with Marson, fresh from a Ph.D. at Stanford University and a postdoctoral stint at the University of California, Berkeley, were convinced that computer-assisted molecular design was possible as a ...
Primarily geared towards drug discovery and design, areas of application include conformation generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization. The software is designed for scientific rigor, as well as speed, scalability and platform independence.
Dymola has multi-engineering capabilities which mean that models can consist of components from many engineering domains. Using the Modelica language, sub-systems are represented by interconnected components; at the lowest level dynamic behavior is described by mathematical equations or algorithms.
Richards is a pioneer in the field of computer-aided molecular design, in particular its application to the pharmaceuticals industry. He was the founding scientist of Oxford Molecular Ltd., [ 5 ] and introduced a novel model for the funding of research at Oxford University, which has been copied elsewhere.