Lushington in Silico Consulting

The combination of simulation and data mining are very powerful mechanism for knowledge discovery in the pharmaceutical, biomedical and biotechnology sectors.  Simulations exploit known causative relationships that can be described in terms of deterministic mathematical expressions, whereas data mining seeks to discover uncharacterized relationships between different types of data and observations.  LiS Consulting provides a diverse range of services in these areas to an expanding client pool of corporate and academic research groups, applying an extensive array of different software platforms, with a predominant focus on open source computational tools, plus a reasonable selection of in-house-developed resources.

LiS Consulting is led by Principal Consultant, Gerald Lushington, who has a strong background in both data mining and physical simulations.  He has used these skills in concert to improve our understanding of a diverse array of different biomolecular phenomena.  One example is rationalizing the different molecular interactions that underlie the high potency of some drug formulations relative to inactive analogs with similar structures using a combination of structural knowledge of the drug-receptor complex and activity trends across structurally related chemicals.  Another example is the discovery, from within target-specific activity data on a large collection of chemicals, of subsets of compounds that act according to common mechanisms (i.e., bind to the same protein via the same receptor and similar binding mode) by using clustering techniques to explore relationships between activity profiles and specific molecular properties.

In addition to computational science projects, LiS Consulting maintains a portfolio of technical writing work and computer programming projects.