Accelrys provides efficient, stable and reliable, multi-party validated scientific algorithms for design, discovery, and clinical evaluation of new compound entities and new materials in an integrated software environment:
Help you produce results in the shortest time Solve various problems in drug discovery and material research, Get more value from computational chemistry Significantly improve the efficiency of various computing tools Products for computational chemists: Insight II ®
Modeling and simulation of macromolecules
Cerius2 ®
Reasonable drug design, structure-based drug design
Catalyst ®
Ligand-based drug design, pharmacophore simulation
MS Modeling
Simulate materials and chemical reactions
See Application Examples of Computational Chemists >>> Product Advantages Design new lead compounds, optimize structure-activity data, evaluate and screen compounds for preclinical testing Catalyst: leading technology in the field of pharmacophore simulation
Cerius2 ADME / T: the leading tool set for prediction in silico ADME / T
Protein and ligand modeling and simulation programs are effectively integrated Insight II's software environment provides a variety of unique industry-leading technologies, such as:
MODELER is the leading program for automated homology simulation DelPhi is the industry's leading electrostatic potential analysis tool CHARMm is an industry-leading simulation program for protein structure / model / complex dynamics LigandFit / LigandScore (module in Cerius2) is used for fast and accurate protein-ligand docking and scoring:
Identify and prioritize lead compounds for further optimization Identify possible ways of binding unknown ligands Used for screening based on receptor structure in virtual screening Unique and comprehensive material modeling software MS Modeling:
nanotechnology catalyst Polymer simulation Crystals and Crystals
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