How SculptChem works
Model
We use an exceptionally fast, accurate, and scalable foundation, EpiSim, to model highly complex chemical systems of interest to chemical innovation-based industries, producing a large, standardized collection of simulation data.
Learn
Our machine learning-based chemical innovation engine, Omnixplore, learns from our vast simulation data and, together with our scientists, gleans key insights specifically tailored for our customers.
Share
Share
We empower our customers to collaboratively explore and design chemical innovations based on these insights, seamlessly, using our browser-based, fully interactive, real-time, pan-model SculptChem platform.
Examples of what can be done with SculptChem
Interfaces
Comparisons
Comparisons
Elaborate on known pockets. Explore cryptic pockets and allostery. Engineer proximity-inducing compounds based on dynamic binding partner interfaces. Discover and optimize binding modes and interactions for mobile molecules.
Comparisons
Comparisons
Comparisons
A common goal in designing chemical innovations is target selectivity. Design to and against multiple, fully responsive targets at once. Discover selectivity handles and opportunities based on structure and dynamics with continuous, information-rich feedback
Libraries
Comparisons
Libraries
Build fully dynamic ligands in 3D. Then explore these molecules in the context of multiple dynamic receptors simultaneously. In real time, explore ligand-receptor interactions based on scoring functions that approach FEP accuracy.