PyRx 0.9.8 – Virtual Screening software for Computer-Aided Drug Design

PyRx 0.9.8

:: DESCRIPTION

PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process – from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes it a valuable tool for Computer-Aided Drug Design. PyRx also includes chemical spreadsheet-like functionality and powerful visualization engine that are essential for Rational Drug Design.Visit Videos page for Getting Started Screencasts. See also Starting Virtual Screening and Getting Started with PyRx tutorials.

::DEVELOPER

Molecular Graphics Laboratory , The Scripps Research Institute

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows / MacOsX /  Linux

:: DOWNLOAD

PyRx

:: MORE INFORMATION

Citation

L.K. Wolf,
New software and Websites for the Chemical Enterprise,
Chemical & Engineering News 87, 31 (2009)

Mprobe 2.0 – Computer-aided Probe Design for Oligonucleotide Microarrays

Mprobe 2.0

:: DESCRIPTION

Mprobe is software to design optimal probes for oligonucleotide microarrays with the following new features. First, a paradox-based sequence database management system (SDMS) has been developed and integrated into the software, which can recognize the sequences in GenBank, EMBL, and FastA formats. Second, the threshold to reject the probes based on secondary structure was avoided.

::DEVELOPER

Center of Computational Biology, Beijing Institute of Basic Medical Sciences

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows

:: DOWNLOAD

 Mprobe

:: MORE INFORMATION

Citation:

Mprobe 2.0: computer-aided probe design for oligonucleotide microarray.
Li W, Ying X.
Appl Bioinformatics. 2006;5(3):181-6.

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