Challenging the structural prediction of unstructured epitopes and long CDR H3 loops.
Application of replica exchange MD to the structural prediction of antigen-antibody complexes with long CDR H3 loops and disordered epitopes exceeding several dozen residues.
Schrödinger's drug discovery platform utilizes computational chemistry techniques based on the first principles of physics, enabling advanced drug design based on protein structural information, and is being utilized by major pharmaceutical companies worldwide. We will present the latest results of antigen-antibody simulations using our software at the seminar below. 22nd Annual Meeting of the Japanese Society for Protein Science Luncheon Seminar [Date and Time] June 7 (Tuesday) 12:00 - 12:50 Venue: Tsukuba International Conference Center 2F E Hall Session ID: LS1E [Program] Schrödinger's approach to physics-based antibody analysis and design: dealing with disordered epitopes and very long CDR H3 loop We will also have a booth at the corporate exhibition, so please stop by. You can experience Schrödinger's Biologics Modeling Suite: BioLuminate.
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