For the first time, there is one complete system Ñ Alchemy 2000 Ñ for the research team to access, mine, share, and present chemical findings from the desktop.

Alchemy 2000 and its specialized modules form a suite of tools that address the needs of small molecule, protein, and materials chemists.
The customizable environment means you and your research team can tailor the programs for your working needs.

• Performing a Molecular Dynamics Calculation: Examine the vibrational motion of the molecules as a function of time with this tool. Calculations are carried out by MM 3, and you may monitor distances and angles throughout the run. Dynamic playbacks animate the results to give you visual insights. Results are returned in a table format that allows you to see any individual frame, to graph locally or export to Excel. You may even create an .avi file that can be viewed by generic movie viewers.

• Conformational Searching: Explore the conformational spaces of flexible molecules to find global minima or geometries that satisfy specific distance constraints. Searching can be done systematically by stepping through selected dihedrals in specified increments or by randomly assigning values to the dihedrals. You can also explore the conformations of flexible rings.

• Intermolecular Interactions: Create an energy function describing the interaction of a small molecule at the site of a large molecule and minimize it to determine a geometry for the small molecule at this site. Alchemy 2000 provides tools to help you position the smaller molecule at a site and control which atoms of the larger molecule take part in the minimization process.


Alchemy 2000 delivers an effective way to investigate and model new leads. We deliver the tools and integration necessary for desktop discovery allowing you to:
• Use Alchemy 2000 as an Internet Helper Application.
• Search conformational spaces systematically or randomly.
• Minimize the energy function of one molecule at the site of a larger molecule.
• Calculate molecular dynamics.
• Build, analyze, and modify chemical models.
• Visualize molecular structures, including proteins and polymers, in a fast, real-time environment.
• Convert your 2D chemical drawings into accurate 3 D representations.
• Compute energies and stereochemical properties.
• Calculate molecular properties and graph results.
• Perform calculations on databases of molecules.
• Organize results in Alchemy tables or export to Excel.
• Prepare superior presentations using AlchemyÕs Òpresentation paneÓ.
• Print directly to high resolution color printers.
• Customize your system with specialized application tools for 3 D structure-based prediction, property prediction, and more.