MacroModel molecular modeling software includes automatic setup for MCMM calculations in batch mode, serial MCMM calculations and mixed-mode searches with LMOD and LLMOD
acslXtreme OPTIMUM modeling, execution and analysis environment enhances the pharmacokinetic modeling software, giving drug developers and risk assessors parameter estimation
SYBYL 7.0 is a molecular modeling environment for drug discovery research. The software is available on multiple platforms and includes a Linux operating system upgrade, Red Hat Enterprise Linux 3.0.
DecisionSite for Lead Discovery is a guided analytic application configured to provide easy access to standard internal and external data repositories.
MacroModel molecular modeling software features a large selection of force fields and advanced methods for conformational analysis, molecular dynamics, and free energy calculations.
ACD/ChemSketch allows users to draw molecules in a chemistry-oriented interface with customizable toolbars. The software provides the ability to work with structures, text, and graphics simultaneously and to transfer to any OLE-supported software, such as MS Office.
MS Modeling is a modeling and simulation software suite, featuring tools for materials property prediction using statistical correlation methods and tools for crystallization modeling.
The Enterprise edition of Sequence Detection System (SDS) Software is a high-throughput application for storage, organization and analysis of large amounts of gene expression and genotyping data
KnowItAll's ChemWindow Edition is chemistry publishing software designed for chemists who need to draw chemical structures and publish professional reports with structures, spectra, chromatograms, chemical reactions, lab experiment setups, chemical engineering diagrams and data tables.
ChemOffice Ultra is software for chemical and biological publishing, workstation-quality molecular modeling, and database work.
Molecular Operating Environment (MOE) provides a suite of applications for manipulating and analyzing large collections of compounds. It is a fully integrated suite of computational chemistry, molecular modeling and informatics software for life science applications.
Materials Explorer is a multi-purpose molecular dynamics package for Windows. Temperature and pressure-controlled molecular dynamics simulations are available by employing the Parrinello-Rahman and Nose methods. A velocity-scaling method is also available for controlled temperatures.
QShape is a fingerprint that enables scientists to prioritize compounds for screening, focusing tests where they have the highest probability of success, and to understand the properties of new compounds.
The Onyx4 UltimateVision visualization system and Tezro rackmount workstation have been coupled with the widescreen ViewSonic display
SpecManager is an overall spectroscopic processing and analytical data management system that includes a flexible module for visualizing and supporting hyphenated data