Modified items

All recently modified items, latest first.

Fixed by method mentioned above by surachai joomprabutra, last updated: 2009-09-20 22:31: Fixed by method mentioned above

No module named geomutils.geomalgorithms by surachai joomprabutra, last updated: 2009-09-17 02:19: No module named geomutils.geomalgorithms

Links by Sargis Dallakyan, last updated: 2009-09-11 13:22: Various useful links.

FITTED by Sargis Dallakyan, last updated: 2009-09-11 13:20: Flexibility Induced Through Targeted Evolutionary Description (FITTED) aims at improving the accuracy of existing molecule docking software program. It uses a more accurate protein models and is based on a pharmacophore-oriented docking method combined with a genetic algorithm based docking approach.

TinkerCell by Sargis Dallakyan, last updated: 2009-09-11 13:20: A computer-aided design (CAD) tool for synthetic biology

Foldit by Sargis Dallakyan, last updated: 2009-09-11 13:19: Solve Puzzles for Science

AutoDock by Sargis Dallakyan, last updated: 2009-09-11 11:58: AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

Molekel by Sargis Dallakyan, last updated: 2009-09-11 11:50: Molekel is an open-source multiplatform molecular visualization program being developed at the Swiss National Supercomputing Centre (CSCS).

PyRx - Virtual Screening Tool by Sargis Dallakyan, last updated: 2009-09-11 11:50: 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 form 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 wizard features easy-to-use user interface and chemical spreadsheet like functionality that makes it a valuable tool for Rational Drug Design.

AutoDock Vina by Sargis Dallakyan, last updated: 2009-09-11 11:49: AutoDock Vina is a new program for drug discovery, molecular docking and virtual screening, offering multi-core capability, high performance and enhanced accuracy and ease of use

Instructions for Installing MGLTools on Linux by Sargis Dallakyan, last updated: 2009-09-08 10:06

Instructions for Installing MGLTools on Linux by Sargis Dallakyan, last updated: 2009-08-27 17:21

Python Molecular Viewer by Sargis Dallakyan, last updated: 2009-07-29 09:23: PDF version of the tutorial.

Change the font size and color of the h-bond labels? by Sargis Dallakyan, last updated: 2009-07-16 12:45: Shows how-to use DejaVu GUI to access properties for the labels.

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