News
Following the recent launch of Forge and Torch you will have noticed that the capabilities of FieldAlign have been distributed between both products, so computational chemists will routinely use all the features of Torch in Forge, whilst medicinal chemists may only have the need to work with Torch.
| Load protein-ligand crystal structures to visualize favorable interactions. | |||
| Load up to 10,000 molecules and convert them into 3D so 2D and 3D structures can be viewed side by side. | |||
| Load results of a ligand or protein based virtual screening experiment. | |||
| Study SAR of congeneric series by manually modifying structures and visualizing the change in the electrostatic and shape characteristics of the molecules. | |||
| Align and compare molecules using a common substructure or using electrostatic and shape characteristics. | |||
| Gain immediate feedback on new designs using the ‘score while you draw’ feature. | |||
| Automatically create energetically reasonable conformations for new designs and ensure these can bind to your target. | |||
| Score new molecules against detailed 3D QSAR models from Cresset’s Forge software. | |||
| Optimize more than potency with the optional StarDrop module to predict off-target effects. | |||
| Virtual screen of 500 molecules. | |||
| GUI interface for virtual screening of 10,000 molecules. | |||
| Virtual screen of 100,000 molecules. | |||
| Create 3D model of binding (pharmacophore). | |||
| Command line. | |||
| KNIME/PP integration. | |||
| Create 3D QSAR models. | |||
| Use cluster resources. |
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