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Scaling Up Robotics-Inspired Conformational Sampling Algorithms
The ability to efficiently sample a protein’s conformational space allows one to understand how a protein may interact with different partners. Algorithms from sampling-based robot motion planning have been used for ...
Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems
Peptide-MHC (pMHC) complexes are central components of the immune system, and understanding the mechanism behind stable pMHC binding will aid the development of immunotherapies. Stable pMHC binding can be assessed through ...