Robust science for results you can rely on

Driving forward simulation science for molecular discovery

Since our ground-breaking work on electrostatics over 20 years ago, Cresset has continued to search out and develop science that accelerates molecular discovery. We continue to invest in method development, implementing rigorous science into practical solutions. Close collaboration with our customers delivers software that is easy to use, fast, and well-integrated with discovery workflows. The expertise built through this work is embodied in our discovery services team, which ensures our technology remains focused on the problems that really matter to computational and medicinal chemists. Today, we’re embracing the transformative potential of AI to enrich this science.

Our foundational science

Introduction to Cresset technology
Quantify electrostatically driven SAR and predict electrostatic target selectivity
XED Force Field
Accurately model intermolecular interactions of small molecules, water and proteins
Cresset field points
See at a glance where a molecule can make electrostatic interactions
Fields on proteins
Distinguish between protein and ligand interaction potentials to design for optimum binding
Field similarity for ligand-based design
Fast comparison of the full electrostatic potential of 3D conformations
Analysis of electrostatic interactions
Quantify electrostatically driven SAR and predict electrostatic target selectivity