Discover, design and optimize small molecules
Computational, medicinal and synthetic chemists from the world’s leading research organizations use our software on a daily basis. Our customers include 8 out of the top 10 pharmaceutical companies. Beyond pharmaceuticals you will find Cresset anywhere where excellent tools are required to ensure optimum chemistry R&D efficiency, from fragrances and flavors and agrochemicals to consumer products and fine chemicals.
Cresset software is underpinned by patented methods to deliver exceptional, novel, insightful and inspiring results. Our robust scientific methods use 3D molecular electrostatics and shape to shed light on the properties and behaviors of chemical structures and, crucially, to understand the key interactions which underpin biological activity.
Cresset Discovery Services provides outstanding contract research services for molecule discovery and optimization. We work with passion, accountability and scientific rigor whether engaged on a long term collaboration or a short focused project to address a specific issue, helping you to make the molecules that matter.
We pride ourselves on the quality of our services and our engaged culture. We are dedicated and passionate about helping our customers get exceptional return from our software and services. If you come and work with us you will be given every opportunity to reach your potential, and you’ll be recognized for your contribution and rewarded with genuine career development and a competitive salary and associated benefits.
Andy formed Cresset in 2002. His ground-breaking research on comparing molecules in terms of their electrostatic potentials formed the scientific foundation of the company and has continued to underpin Cresset’s technical development. Andy’s work revolved around developing and improving the XED force field. The ideas behind this force field were originally introduced by Hunter and Sanders, JACS 1989, to model aromatic-aromatic interactions, and were extended into a full general-purpose force field by Andy (JCAMD, 1994). The XED model was developed with a special focus on accurate molecular electrostatics, including anisotropic charges on atoms and polarizability. It was the first major effort to move beyond the atom-centered charge model and did so not by placing explicit multipoles on atoms but by placing additional monopoles around them. This allowed it to correctly predict aromatic-aromatic stacking geometries and energies, hydrogen bonding and anomeric effects and the intermolecular interactions of small molecules, water and proteins.
Not one to take up formal retirement, Andy’s latter work focused on understanding agonism and antagonism in adrenergic GPCRs, particularly β2.
Andy was a founder member of the Molecular Graphics and Modelling Society (MGMS) in 1981, served as the first chairman and remained on the committee for many years.
Andy passed away on 16th December 2019. His legacy is one of passion and drive for investigating realistic explanations for drug interactions with biological targets by computational means; of course, accompanied by wit and charm. Andy is sorely missed by all of us who had the pleasure and privilege of knowing and working with him.