GastroPlus™ is an advanced and reliable simulation software package that simulates intravenous, oral, ocular, inhalation, and dermal/subcutaneous absorption, pharmacokinetics, and pharmacodynamics. Software Licence: Commercial OS: Windows Rate It: Recent applications: Is there a simulation software you know, but you didn’t find it on Simurank.com? Suggest one!
Tag: Drug design
VlifeMDS is a full software suite used for molecular modeling and drug design. It can perform a variety of tasks from molecule drawing and visualization of molecular properties, homology modeling to high precision docking, 2D/3D QSAR prediction. Software Licence: Commercial OS: Windows and Linux Rate It: Recent applications: Is there a simulation software […]
MOE (Molecular Operating Environment) is a fully integrated drug discovery software package, which includes multiple modules like Structure-Based Design, Fragment-Based Design, Pharmacophore Discovery, Biological Applications, Protein and Antibody Modeling, Cheminformatics and QSAR. Each individual module has extensive capabilities like active site detection, ligand-receptor docking, automatic filtering and scoring, conformational search and analysis, just to name […]
Schrödinger aims to provide integrated software solutions which range from general molecular modeling programs to a comprehensive suite of drug design software, as well as a well implemented package for materials research. License: Commercial License OS: Linux, Mac, and Windows Rate It: Recent applications: Is there a simulation software you know, but you […]
The Biovia Discovery Studio software package from Accelrys (currently part of 3DS) is a comprehensive drug discovery package capable of simulations, macromolecule design and analysis, antibody modeling, structure based design, pharmacophore and ligand-based design, QSAR, ADMET and predictive toxicology, offering also an advanced visualization platform through Discovery Studio Visualizer. License: Commercial License OS: Linux and […]
New class of antibiotics design using your own laptop or home desktop? Is this really possible? At some point you all heard about or remember SETI (Search for Extraterrestrial Intelligence), a project born part of a goal to detect extraterrestrial life in our vast Universe. Radio SETI uses radio telescopes to capture narrow-bandwidth radio signals […]
Beside their use for improving the graphic card on the common desktop computer, a few years ago graphics processing units (GPUs) were enabled by NVIDIA to be used as powerful computational units. This was possible by the development of the so-called compute unified device architecture (CUDA) parallel computing programming model and its implementation by the […]