Mc. Sc. Joel Ricci López
Ph.D. Student - AguilaLab Team
- Center for Scientific Research and Higher Education of Ensenada (CICESE)
- Centre for Nanoscience and Nanotechnology (CNyN), UNAM.
Thesis title: “Development of a molecular virtual screening methodology using molecular descriptors and Ensemble-based docking”
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.
- Ricci-López J, Vidal-Limon A, Zunñiga M, Jimènez VA, Alderete JB, Brizuela CA, et al. (2019) Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein. PLoS ONE 14(3): e0213028.