Running Ultra-Large Gold Docking Jobs on Cloud Resources
White Paper Apr 07, 2021
Computational chemists have long been contributing to the hunt for new molecules with in silico approaches now firmly embedded within pharmaceutical and agrochemical companies. When the structure of a protein target associated with the disease is known, a virtual library of compounds can be docked into the binding site of the protein - virtual screening. This enables prioritising of compounds by their likelihood of binding allowing scientists to select the best candidates for a new target.
There are specific challenges around data output and speed that need to be addressed to enable ultra-large docking of such libraries. Such as, the volume of data generated and the timescale must be convenient and manageable for structure-based drug design programs.
Download this whitepaper to discover a system that:
Related White Papers
Single-cell sequencing is quickly becoming a standard tool in biological research due to the scale and depth of insight it provides across diverse cell populations. The pharmaceutical industry is exploiting single-cell approaches to identify novel therapeutic targets and accelerate promising assets through development.READ MORE
The rapid and cost-effective production of conventional monoclonal antibodies (mAbs) for clinical trials has contributed toward their wide adoption. As the number of next-generation antibody-based candidates with modified or absent Fc domains increases, biomanufacturers face a need to establish alternative affinity purification technologies.READ MORE
Over the past two decades, monoclonal antibodies (mAbs) have been one of the most dominant segments of the biotherapeutics market. Ensuring mAbs’ safety and efficacy is vital but is made complicated by the fact that antibodies can have a tendency to aggregate during production, decreasing efficacy and increasing the risk of immunogenicity.READ MORE