We are looking for a PhD student, postdoc, or faculty member with hands-on experience in computational chemistry and molecular docking to mentor a high school student through his second independent research paper.

About the student:

He is a Grade 11 student (ICSE board, India) who has already completed a structure-activity relationship (SAR) study on flavonoid antioxidants using published DPPH IC50 data and molecular descriptors. He collected data from four published papers, cross-referenced compounds across datasets, and independently identified kinetic anomalies in the data (biphasic quercetin behavior under short incubation times). The SAR paper is available for review upon request.

About the project:

His second paper involves molecular docking of 15-20 flavonoids against a disease-target protein (likely alpha-glucosidase for type 2 diabetes) using PyRx/AutoDock Vina. The goal is to evaluate the binding potential of antioxidant flavonoids as drug candidates. A detailed 12-week research plan is already in place. The student needs a mentor who can guide methodology, review his docking setup, and provide feedback on his analysis and writing.

What we need from the mentor:

Direct experience running molecular docking studies using AutoDock Vina, PyRx, or equivalent tools

Familiarity with protein preparation (PDB file cleaning, grid box setup, PDBQT conversion)

Familiarity with interaction analysis using Discovery Studio Visualizer or similar software

Ability to review and give feedback on the student’s docking results, scatter plots, and correlation analysis

Ability to review and give feedback on the final research paper (standard journal format: Abstract, Introduction, Methods, Results, Discussion, Conclusion)

Published work in computational chemistry, drug design, or molecular docking (preferred, not mandatory)

What this is NOT:

This is not ghostwriting. The student does all the work himself. The mentor reviews, corrects methodology, and guides.

This is not tutoring. The student already has the theoretical foundation from his first paper. He needs a research advisor, not a teacher.

Time commitment:

One 45-60 minute video call every two weeks for 12 weeks (6 calls total)

Async review of the student’s spreadsheet, docking output files, and draft paper sections between calls (estimate 1-2 hours per cycle)

Total estimated hours: 20-25 hours over 12 weeks

Ideal candidate:

PhD student or postdoc in computational chemistry, medicinal chemistry, pharmaceutical sciences, cheminformatics, or a related field

Currently or recently affiliated with a university (institutional affiliation matters for the student’s profile)

Published at least one paper involving molecular docking

Patient, clear communicator who can explain methodology without jargon