Postdoctoral Fellow
Current- Filtered dataset of 500+ KP4 homolog sequences to then process through phylogenetic likelihoodanalysis pipeline to reduce to representative sampling of systems. Processed resulting systems throughrigorous molecular dynamics pipeline to ascertain similarity and probability of functionality as antifungals.- Performed molecular dynamics simulations with GROMACS on a large protein-antibody system(Respiratory Syncytial Virus bound to Motavizumab) to investigate epistatic effects of two empiricallydetermined antibody escape mutations.- Manipulated two datasets to develop and include new features then used R and Python to perform multinomial regression analysis and determine which physical attributes determine the sign of epistatic interactions in protein systems. Combined with a prior model to predict double mutational effects given computationally predicted single mutations.