Experienced Drug Design and Computational Chemistry
Helping Our Clients Find Success
Experienced Drug Design and Computational Chemistry
Helping Our Clients Find Success
Helping Our Clients Find Success
Helping Our Clients Find Success
We have 30+ years of experience providing molecular modeling, computational chemistry, and drug design support to small and large pharmaceutical companies. We have been integral members of multi-disciplinary discovery research teams that have led to 3 commercially successful drugs and therapeutics. We are passionate about careful, detailed planning and execution of scientific ideas in close collaboration with group leaders and experimentalists.
We will work closely with you to clearly identify the key problems you are facing as you design, synthesize, and test new compounds. We will then consider available tools and approaches and make suggestions that can be quickly tested. Don't be surprised if we suggest something your scientists did not consider!
We maintain a license for Chemical Computing Group MOE software and have experience and expertise in a number of other commercial and open source programs including Pipeline Pilot, JMP, R, and PYTHON/RDkit. We have significant research interests in a number of areas including Bayesian causality networks, rapid prediction of polypharmacology from structure, and tools to organize bioactive compounds into 2D maps. Let's discuss your research interests!
Here is a video describing a Pipeline Pilot program, Pareto Ligand Designer, created by Jim Metz and presented at an Accelrys (now BioVia) Users Group Meeting. The purpose of the software was to address one of the common and difficult aspects of drug design, namely simultaneous, multi-property optimization within a single molecule.
Houk - Theory and Modelng of Stereoselective Organic Reactions (pdf)
DownloadAbad-Zapatero Metz - Ligand efficiency indices (pdf)
DownloadMetz - Orange Alerts (pdf)
DownloadMetz - Navigating the Kinome (pdf)
DownloadMetz Hajduk - Rational approaches to targeted polypharmacology (pdf)
DownloadZanze Metz Djuric - Topography-biased compound library design (pdf)
Download422 Cross Road, Gurnee, IL 60031
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