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CHARMm: Comprehensive force field and program for energy calculations. Includes extensive parameter library. Ludi: de novo design software. Binding Site Analysis: Software to locate a proteins binding site and then use sequence family information to indentify characteristics that determine function. Requires Insight II. MCSS: Characterization and analysis of potential ligand binding sites. Requires Insight II, CHARMm. Sketcher : used to draw molecules in 2D and automatically convert them to 3D models. 2- Rational and Combinatorial Drug Design C2.Visualizer: Comprehensive chemical computing environment. Required core product. C2.Minimizer: Performs energy minimization of molecular and periodic structures. C2.OFF: Open force field includes library of standard materials force fields. Includes Dreiding, Universal, and other force fields. C2.MMFF: Provides Merck Molecular Modeling Force Field for use with Drug Discovery applications. C2.Conformers: Provides conformational search algorithms and analysis tools for molecular structures. C2.Alignment: Molecular similarity and superpositioning methods. C2.FieldFit: Performs molecular alignment based on steric and electrostatic fields as well as alignments on moments of inertia and electrostatic moments. C2.DB Access: Access to ISIS and Catalyst database searching programs. C2.Force Field Editor: Provides force field customization tools. C2.QSAR+: Comprehensive toolkit with molecular descriptors and statistical techniques for QSAR applications. C2.Descriptor+: Additional QSAR/QSPR descriptors for materials and life science applications. C2.Genetic Algorithims: Genetic function approximation applied to QSAR. C2.MFA: Molecular field analysis for 3D QSAR. C2.Receptor: Toolkit for creation and evaluation of pseudo-receptor models.
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