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Computational Resources for Drug Discovery (CRDD) is an important module of the in silico module of Open Source for Drug Discovery (OSDD). [1] The CRDD web portal provides computer resources related to drug discovery , predicting inhibitors, and predicting the ADME-Tox properties of molecules on a single platform.
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.
The process of drug discovery is divided into ten work packages, namely [21] WP1 - Drug target identification. This promotes computational activities including Systems Biology research for identification of potential drug targets. It opens participation of academia, institutions and industries with strong inclination towards open source.
Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. [ 4 ] This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets.
Schrödinger, Inc. is an international scientific software and biotechnology company that specializes in developing computational tools and software for drug discovery and materials science. Schrödinger's software is used by pharmaceutical companies , biotech firms, and academic researchers to simulate and model the behavior of molecules at ...
Whereas traditional bioinformatics is a wide subject it has a large focus on molecular biology, pharmaceutical bioinformatics more specifically targets chemical-biological interaction and exploratory focus of chemical and biological interactors using e.g. cheminformatics and chemometrics methods.
Chemaxon (/ ˌ k ɛ m ˈ æ k s ɒ n /) is a cheminformatics and bioinformatics software development company, [1] [2] headquartered in Budapest with 250 employees. [3] The company also has offices in Cambridge, San Diego, Basel, and Prague, [4] [5] [6] and distributors in China, India, Japan, South Korea, Singapore, and Australia.
Software platform, allows organizations to integrate, analyze, and share complex biomedical data Linux, macOS, Windows: Apache: LabKey Software Foundation LAMMPS: Molecular dynamics program written in C++: Linux, macOS, Windows: Apache: Sandia National Laboratories. mothur: Software for analysis of 16S rRNA gene amplicon sequence data Linux ...