I Focus on the applications of complex reactions between polymeric materials and proteins using advanced in-silico methods such as molecular dynamics and machine learning. Molecular modeling of targeted proteins/polymers and quantitative analysis were adopted to acquire comprehensive understandings of the studied systems. I provided accurate insights to experimental collaborators, explaining phenomena and guiding molecular designs with calculated predictions. Through various projects, Collaborators and I have successfully designed novel biomaterials for various applications such as molecular therapy, drug delivery, protein purifications, etc.