Virtual HTS, ligand, target, and reverse docking

Related services

• ONTOMINE - In silico bioactivity, adverse effect and toxicity screening
• ONTOMINE ADME - In silico models for logP, logD, logS, pKa
• Scaffold hopping and optimization
• Library design
• Life-science computational workflow development
• Proteomics
• Protein identification, characterization and quantitation
• Molecular biology
• In vitro assay development

• Structure analysis
• Homology modeling and energy minimization
• Docking, ligand-based, target-based and reverse docking
• Target selectivity and off-target activity screens
• Molecular dynamics simulations
• Conformation generation
• Small molecule structure determination using X-ray crystallography data
• Pharmacophore analysis

In addition to the various docking and 3d QSAR based in silico analysis, we offer an unique additional analytics for the computational framework. Ontomine is a SBW's proprietary computational platform for predicting the bioactivities, adverse effects and toxicities of small molecules based on the organic functional groups. Ontomine is based on extensively collected ad curated experimental datasets of over 100.00 small molecules; their activities and toxicities. These classifications are organized into a hierarchy of over 3000 classes, with signatures for the molecules representing the class activity (like hepatotoxicity or anti-angiogenetic factor). Our virtual HTS screening platform combines the docking type efforts with the Ontomine platform for highly added value of the predictions. Follow this link for more details of the Ontomine platform.

We have also access to one of the world's largest supercomputers for the most demanding computational simulations etc. work requiring large scale computational power.
All our services are tailored to the customers need. Click here for our other discovery informatics services.

More information

Please follow this link to retrieve a fact sheet of our Virtual HTS, ligand, target, and reverse docking services

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