Modern molecular biologic techniques have accelerated in their use in medicine tremendously in the last decade.
The Antibody-Antigen Interactions Module is an extension of ViewContacts and Scorpion software to assist in the discovery of new biologics. By incorporating our network cooperativity concept into this area of study we can enhance current knowledge in new and innovative ways.
Biological therapeutics (biologics) present new challenges for computational chemistry. Current researchers typically use force field calculations but these methods do not take account of cooperativity effects. Our methods calculate cooperativity completely differently from other approaches – no other researchers in the field have used this type of approach to investigate hot-spots at protein-protein interfaces.
ViewContacts and Scorpion have been enhanced to incorporate the cooperativity effects specifically for biologics. The software module enables the calculation of non-covalent interactions, water rank scores, and binding affinity scores for protein-protein complexes. This facilitates the study of antigen-antibody interactions, and the rational design of tighter binding antibodies.
Our network approach is unique and provides thought-provoking insights.