Novel in silico-assisted Platform to Rapidly Enhance Specificity and Affinity of Therapeutic Antibodies Against Their Targets

Challenge: The design of superior biologic therapeutics such as monoclonal antibodies, single-domain antibodies, and engineered proteins requires optimizing their ability to bind to disease targets. Antibodies offer many advantages over small molecules in treating diseases, but the process for generating them is complex, expensive and often requires further steps of affinity maturation to achieve the desired level of potency. Molecular … Read More


Detection of Molecular Interaction Field Similarities for the Rational Drug Design of Multi-Functional Inhibitors

Challenge: Binding promiscuity plays a major role in medicine as promiscuous drug interactions may lead to undesirable cross-reactivity effects. This represents a considerable challenge for the pharmaceutical industry. Drugs act by modulating the function of target proteins. However, additional off-site non-target proteins may also be affected due to similarities between binding sites. This unintentional effect may lead to the serendipitous … Read More


Computational and machine learning approaches to improve design and screening of high bioactivity peptides for drug discovery

Competition: Programme FOCUS 2014 Funding: $1,600,000 / 3 years Beginning: December 2014 The cost of developing new drugs is now widely acknowledged by industry leaders as prohibitive, with some estimates now in excess of $ 5B per drug. It is imperative that new approaches are developed to mitigate the cost and time required to bring new drugs to market. To … Read More