Hey there, I’m Sthitadhi!👋

K-18 domain of IDP Tau in aqueous solution 👨‍💻🧬 I am a Ph.D. graduate student in Computational Chemistry from Dr. Matthias Heyden’s research group at Arizona State University. I am set to graduate in May 2024.

🔬 My research focuses on the application of classical molecular dynamics simulations and umbrella sampling to investigate solvation and free energies, specifically folding and binding, of intrinsically disordered proteins (IDPs).

🔭 My future research interests now extend to computational drug design, integrating my expertise in enhanced sampling, molecular dynamics simulations, and data analysis to explore new challenges and innovate methods.

💻📚 I am also eager to explore the use of machine learning techniques to streamline the drug discovery process and boost the research and development efforts 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.