Using a unique computational approach to rapidly sample proteins in their natural state of gyrating, bobbing, and weaving, a research team from UC San Diego and Monash University in Australia has identified promising drug leads that may selectively combat heart disease, from arrhythmias to cardiac failure.
“The world of artificial intelligence is rapidly evolving and affecting every aspect of our daily life. And soon this progress will be felt in the pharmaceutical industry. We set up the Pharma.AI division to help pharmaceutical companies significantly accelerate their R&D and increase the number of approved drugs, but in the process we came up with over 800 strong hypotheses in oncology, cardiovascular, metabolic and CNS space and started basic validation. We are cautious about making strong statements, but if this approach works, it will uberize the pharmaceutical industry and generate unprecedented number of QALY,” said Alex Zhavoronkov, PhD, CEO of Insilico Medicine, Inc.
Drug discovery has accelerated with the advent of high performance computing and new algorithms. “A structural bioinformatics algorithm, eFindSuite, can be used to demonstrate how moving the code to a highly parallel implementation can speed up the computation, by using both the Intel Xeon processor and the Intel Xeon Phi coprocessor. eFindSuite is implemented in both Fortran 77 and C++.”
“Intelligent Pharma is a biotechnology company dedicated to developing, commercializing and using new computational technologies for drug discovery. According to our clients’ needs, we carry out customized computational chemistry projects using cutting-edge technologies.”
“When Professor Ross Walker explains what he does for a living, he says he’s on the cutting edge of drug discovery research using supercomputers. Today, he and his team build supercomputer molecular biology software thanks in part to a partnership with Intel’s Software Academic Program. The program provides tools and resources to help Walker’s molecular dynamics lab develop highly effective supercomputer simulations.”
The ISC’15 conference will be held July 12-16 in Frankfurt, Germany.
In this special feature from Scientific Computing World, Sean Ekins from Collaborative Drug Discovery explains to Robert Roe how science apps can be used for cheminformatics workflows. Delegates attending the SLAS2014 Conference in San Diego California from 18 to 22 January were able to download a conference app – available free from the iTunes store […]