A single platform for ligand-based and structure-based drug design that enables research chemists to discover novel small molecules more efficiently and effectively
Understand SAR and build models and pharmacophores
Decipher complex SAR and choose the best molecules to make
Find and understand activity and selectivity cliffs in your SAR
Qualitative SAR insights from novel methods
Understand the 3D shape and relationships of your active molecules
State-of-the-art Quantum Mechanics (QM) calculations for your ligands
Fast, user-friendly generation of in silico chemical libraries and arrays
Refine docking results, make the right SBDD choices and enable lead optimization with confidence
Understand ligand binding, structure-activity relationships and rank new molecule designs
Rapidly and easily dock your ligands from a choice of different experiments
Study the conformational changes of proteins and assess the stability of protein-ligand complexes
GIST and 3D-RISM approaches for insights you can exploit in your inhibitor strategy
Identify druggable binding sites in your protein to exploit in your drug discovery strategy
Summarize ligand-protein interactions in 2D
Work more efficiently by customizing workflows, automating tasks and adding custom controls
Rapidly step through the hit-to-lead process with minimal expenditure on wet-chemistry
Explore the variations made on your ligand series and how they impact key compound properties
