BioSolvetIT SeeSAR v12.1.0
SeeSAR fosters innovation during every step of your drug design process. The app includes all tools vital for handling your compounds and target structures which have been fine-tuned to the needs of any chemist. Helpful features such as ADME properties assessment, comprehensive color coding, unoccupied binding pocket visualization, and many others, support you in making sound and interactive decisions. All our tools are based on solid and transparent science cited in over a thousand publications. Follow the button if you want to learn more about the science behind SeeSAR.
Drag and drop your protein, or search comfortably in an online database. Within seconds, your target is prepared and you can get started.
Modify your protein according to your needs. Explore rotamers, introduce mutations, and customize side chains.
SeeSAR automatically detects the binding site of a ligand for you. In addition, you can precisely expand it by adding individual residues — or with a single click to find empty pockets in your protein.
Modify molecules to your taste in 2D or 3D on-the-fly. Once you are done, the molecules are directly prepared for your tasks.
Estimate affinities and interpret the results using the visualized HYDE score. Filter your compounds for relevant parameters, calculate ADME properties, and gain full control over ligand-target interactions.
Ideate without limits! Discover new scaffolds, explore, and grow into free cavities, or link molecules using fragment libraries for elegant solutions.
Dock your compounds with one single click! Screen libraries for actives, and instinctively evaluate your results.
Align your compounds without the need of a target structure based on their molecular similarity.
Автор: 
Дата: 21 января 2023
Просмотров: 270 
