Jéssica Cristiane Magalhães Ierich

Ph.D. in Tropical Medicine from the University of São Paulo (2018), M.Sc. in Biotechnology and Environmental Monitoring from the Federal University of São Carlos, Sorocaba campus (2014), and B.Sc. in Biomedical Systems from the Faculty of Technology of Sorocaba (2011). Works in the fields of structural bioinformatics and nanobiotechnology, focusing on four main areas: (i) protein structure prediction using computational methods; (ii) computational characterization of biomolecular interactions for the development of nanosensors and molecular inhibitors; (iii) investigation of humoral responses and antigenantibody complexes through molecular simulations; and (iv) application of nanotechnologies in biomolecular sensing and neutralization strategies, with emphasis on chirality. Her doctoral research involved nanoscale characterization of antigenantibody interactions in neurodegenerative diseases, using computational modeling and classical force field-based simulations.Currently, she is part of the Theoretical Chemistry Laboratory at the Federal University of São Carlos (São Carlos campus), working on four main fronts: (i) studies of biomolecular recognition involving proteins and humoral components; (ii) design and modeling of chiral nanomaterials using molecular dynamics (explicit and implicit solvent), umbrella sampling, and machine learning techniques; (iii) analysis of interactions between chiral nanomaterials and biological targets for biomedical applications; and (iv) development of machine learning methods and curated datasets applied to biomolecular and nanotechnological systems. She also conducts research in electronic structure methods, focusing on the analysis of Natural Transition Orbitals (NTOs) to study optical properties and electronic excitation processes in chiral and biomolecular systems. (Source: Lattes Curriculum)