プロフィール詳細

プロジェクトを作成

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Dr. Nicole A V.に依頼

United States

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

プロフィール概要

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.

専門分野

• ★ 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

サービス

• Writing
• Research
• Data & AI

Writing General Proofreading & Editing

Research Scientific and Technical Research

Data & AI Data Visualization

職務経験

Scientist

Revolution Medicines (United States)

7月 2022 - 10月 2025

学歴

PhD Pharmaceutical Sciences

University of Tennessee Health Science Center

8月 2015 - 6月 2022

認定資格

• 認定資格の詳細は未入力です。

出版物

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.