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USD 90 /hr

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☆☆☆☆☆

Hire Dr. Nicole A V.

United States

USD 90 /hr

Computational Chemist | Structure-Based Drug Design | Molecular Dynamics & Free Energy Methods | PhD

Profile Summary

My experience ranges from early-discovery to lead-optimization/pre-clinical. In my most recent work at Revolution Medicines, I leveraged molecular dynamics (AMBER, Desmond) and thermodynamic integration calculations on cloud platforms (AWS, Azure) to guide early discovery and lead optimization across multiple oncology programs. My work directly contributed to understanding the covalent mechanism of the KRAS G12D inhibitor Zoldonrasib, where I applied MD and QM/MM methods to elucidate its covalent mechanism of action, which was recently published in Science (2025). I have extensive hands-on experience with the molecular modeling toolkit you're seeking including molecular docking (Schrödinger Glide), binding free energy methods (TI, MM-GBSA), and structure-based design across kinases, protein-protein interactions, and other target classes. I thrive in collaborative, science-driven environments and bring both technical depth and clear scientific communication to every project.

Subject Matter Expertise

• ★ Chemoinformatics
• ★ Computational Chemistry
• ★ Drug Discovery
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Nutrition Science
• ☆ Publishing
• ☆ Visual Communication
• ☆ R
• ☆ Drug Design
• ☆ Oncology
• ☆ Scientific Animation & Illustration
• ☆ Technical & Scientific Writing
• ☆ Scientific Proofreading & Editing

Services

• Writing
• Research
• Data & AI

Writing General Proofreading & Editing

Research Scientific and Technical Research

Data & AI Data Visualization

Work Experience

Scientist

Revolution Medicines (United States)

July 2022 - October 2025

Education

PhD Pharmaceutical Sciences

University of Tennessee Health Science Center

August 2015 - June 2022

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Brian Matthew Wolpin, Melissa Ronan, Matthew G Rees, Jennifer A Roth, Eejung Kim, William C Hahn, Julien Dilly, Zhican Wang, David Wildes, Adrian L Gill, et al. (2025). A neomorphic protein interface catalyzes covalent inhibition of RASG12D aspartic acid in tumors . Science.

(2021). The Discovery and Development of Thienopyrimidines as Inhibitors of Helicobacter pylori That Act through Inhibition of the Respiratory Complex I . ACS Infectious Disease.