Virtual Screening and Molecular Simulations Laboratory

In this laboratory, students carry out studies on topics such as virtual screening for the simulation and analysis of protein binding dynamics, the development of models and algorithms, the development of models and programming codes for predicting the secondary structures of proteins, the analysis of protein-drug, protein-protein and protein-DNA interactions, the identification of protein binding sites, high-throughput virtual screening, and the chemical design of small organic molecules for application in new protocols.