Essential dynamics is the application of principal component analysis to a dynamic trajectory derived from a simulation protocol in order to extract biologically relevant information contained in the high dimensional data. In this work, we apply t...
Beta-lactamase is a protein which is produced in bacteria and is a primary cause of antibiotic resistance to Beta Lactam antibiotics. Beta Lactams are among the most common types of antibiotics (including penicillin) and thus understanding the res...