👨‍💻🧬 I am a computational biophysics postdoctoral researcher in the Nanobiocomp group at the Department of Physics, University of Genoa, Italy. I earned my Ph.D. in Computational Chemistry from Arizona State University, where I conducted my doctoral research in Dr. Matthias Heyden’s group.

🔬 My current postdoctoral research uses multiscale molecular dynamics simulations to investigate how foldable coarse-grained models of amyloid-β and other small proteins interact with cell membranes of varying lipid composition, including lipid rafts in neuronal membranes. I focus on their membrane-binding mechanisms and their potential to induce membrane pore formation. I conduct this work under the guidance of Dr. Davide Bochicchio and Prof. Giulia Rossi.

🧪 I perform atomistic and coarse-grained molecular dynamics simulations of intrinsically disordered proteins and membrane systems using GROMACS and the Martini force field. I have also developed and validated a novel collective variable (CV) in PLUMED to quantify alpha-helical and beta-sheet content in coarse-grained simulations of amyloid beta-42. The CV can be adapted to other foldable coarse-grained protein models.

🔭 My doctoral research focused on classical molecular dynamics and umbrella-sampling simulations to investigate solvation and the folding and binding free energies of intrinsically disordered proteins. My broader interests include computational drug design, enhanced sampling, multiscale modeling, and data analysis.

💻📚 I am also interested in integrating machine-learning techniques with molecular simulations to streamline drug discovery and support research and development in the pharmaceutical sector.

Professional Courses and Certifications

High-Throughput Virtual Screening for Hit Finding and Evaluation

Schrödinger
Issued Feb 2024
Credential ID: fr06qf4f3q
Certificate url: https://courses.schrodinger.com/certificates/fr06qf4f3q
Skills developed:
Techniques- Absolute Binding FEP, Structure and Ligand Based Virtual Screening, Docking, Shape Screening, Active Learning, Mixed Solvent Molecular Dynamics (MxMD).
Software skills- Schrödinger Maestro

Introduction to Molecular Modeling in Drug Discovery

Schrödinger
Issued Nov 2023
Credential ID: jontoiwo1u
Certificate url: https://courses.schrodinger.com/certificates/jontoiwo1u
Skills developed:
Techniques- Structure Based Virtual Screening, Docking, and R-group enumeration.
Software skills- Schrödinger Maestro and Schrödinger LiveDesign.

Advanced Python: Language Features

LinkedIn
Issued Aug 2023
Certificate url: Link
Skills developed:
Programming language skills- Python.
Language Features- Lambda Functions, Python Comprehensions (List, Dictionary and Set Comprehensions), Classes and Objects, Structural Pattern Matching.

Teaching

2016(FALL): Graduate Teaching Assistant, CHM 113 Labs, General Chemistry.
2017(SPR) – 2018(SPR): Graduate Teaching Assistant, CHM 116 Labs, General Chemistry.
2018(SUMMER): Graduate Teaching Assistant, CHM 116 Labs, General Chemistry.
2018(FALL) – 2019(SPR): Graduate Teaching Assistant, CHM 116 Labs, General Chemistry.
2021(FALL) – 2024(SPR): Graduate Teaching Assistant, BCH 341 & CHM 114 OL, Biochemistry & Chemistry.

CHM 113, 116: General Chemistry Labs with 25 students per lab. Taught 4 different batches of students per week.
BCH 341: Physical Chem with Bio Focus. About 150 students per semester. Had to interact one-on-one during weekly office hours and revision days.
CHM 114 OL: Online lab for General Chemistry for Engineers with about 60 students per TA. Had to grade reports, homework, and answer questions online.

Community Service & Extracurricular Involvement

I served as a Grand Award Judge in Chemistry at the Intel Science and Engineering Fair (ISEF) 2019 in Phoenix, organized by the Society for Science & the Public, on May 14th and 15th, 2019.

In September 2018, I volunteered with the National Speleological Society and a group of ASU students for the Peppersauce Cave graffiti removal and restoration project in Arizona, from September 21-23. Link

From August 2018 to March 2020, I was part of the ASU Outreach Choir, performing as a singer at Phoenix-area retirement homes three times each semester.

From August 2022 to December 2023, I served as the Chief of Safety for the Amateur Radio Club at ASU (W7ASU), where I oversaw operational safety during activities at one of Arizona State University’s oldest Ham Radio clubs.

I designed the new club logo for W7ASU, drawing inspiration from the previous design while incorporating my own creative ideas. Link