M. Sc. Joel Ricci-Lopez

joel ricci lopez

Ph.D. Student – AguilaLab Team

Center for Scientific Research and Higher Education of Ensenada (CICESE) and Centre for Nanoscience and Nanotechnology (CNyN), UNAM.

 


Thesis title: “Development of a molecular virtual screening methodology using molecular descriptors and Ensemble-based docking”

Ph.D. Advisors: Dr. Carlos A. Brizuela and Dr. Sergio A. Águila


Brief Synopsis of Research: We aim to test and design a structure-based virtual screening pipeline, combing target molecular dynamics simulation in mixed solvents, conformational selection, ensemble-based docking, and receptor dependent- 4D QSAR approaches.