This week was our last week of doing real research on our protein systems. Which was both exciting and sad that it is all coming to an end. During this week I spent most of my time calculating free energy wells for each system of...
During this week at UCSD we continued our research and tested all of our hypothesis from the previous week! The first hypothesis that I tested was if the standard deviation of the distance between the center of mass of the ligand and the center of...
This week was the turning point of my internship at UCSD where we changed from just learning how to do different analysis methods on our training proteins to creating our own analysis methods to use on the test set of systems with the tools that...
Our 3rd week at biochem core UCSD we continued to further explore different aspects of computational chemistry and more specifically look into what different properties of various proteins affect the effectiveness of different drugs. We were able to do this by studying the molecular dynamic simulations of...
This week we finished running our molecular dynamics simulations, and with those, we correlated the IC50s of different ligands to various properties of said ligand. For example, we tested the number of hydrogen bonds the ligand has to the protein in order to see if that correlates to...
The first week in San Diego Califonia has been both a thrilling one and a challenging one. The first week of my internship at the UCSD BioChemCore has been a boot camp of learning how to code in various different coding languages such as python and...