Upgrade to Torch
Torch adds the power of Cresset’s molecular comparisons to TorchLite. Using Torch you will:
- Compare diverse active series, understanding and transferring the SAR to your own.
- Receive a score on every design using shape, electrostatic similarity or both.
- Ensure designs fit your protein in energetically reasonable conformations
- Find critical regions in your SAR with Activity Miner.
Torch provides the framework to inspire and validate your molecule designs. The easy-to-use, wizard based interface guides you through experiment setup and provides an intuitive interface to view your results. Whether you are designing single molecules or small libraries, Torch gives you the confidence and validation to progress rapidly from idea to the next best synthesis.
Contact us to enquire about upgrading from TorchLite to Torch.
Torch is intuitive and easy to use, however, if you would like our experts to provide training contact us.
Figure 1: Generating conformations and aligning molecules in Torch
Do more than just view molecules with an upgrade to Torch
TorchLite is an excellent way to view and edit structures in 3D, helping you to understand how your molecules behave in a biological context. However, with an upgrade to Torch you can go further, gaining more knowledge, more quickly. See how they compare in the table below.
|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|
Take a free evaluation of Torch and start designing your next molecule using the power of fields.
If you’re a post-graduate, PhD or post-doc student enrolled in a defined degree course you are entitled to free one year named user licenses for Cresset desktop products. Students can apply to Cresset with a description of the project and the intended use of the software. Free licenses will include upgrades but not technical support. Licenses can be renewed while the student remains enrolled in a degree program. Apply for a software bursary here.