プロフィール詳細

プロジェクトを作成

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Dr. Phúc L.に依頼

Vietnam

Computational Chemist | Molecular Dynamics (GROMACS) | Drug Delivery & Nano-Bio Interface Simulation

プロフィール概要

I am a computational chemist specializing in molecular modeling, molecular dynamics simulations, and computational analysis of biomolecular systems. My work focuses on understanding molecular interactions and mechanisms relevant to drug discovery, biomaterials, and nano–bio interfaces. I have experience performing molecular docking, molecular dynamics simulations, and trajectory analysis to investigate protein–ligand interactions, nanoparticle–biomolecule interactions, and drug delivery systems. I regularly work with simulation tools such as GROMACS for molecular dynamics simulations and Gaussian for quantum chemical calculations. My research experience includes modeling biomaterials such as silk proteins, chitosan-based systems, and nanomaterials interacting with bioactive compounds. I am particularly interested in studying the molecular mechanisms governing drug delivery, binding stability, and structural dynamics. I can assist with: • Molecular docking and binding pose analysis • Molecular dynamics simulations (system setup, equilibration, production runs) • MD trajectory analysis (RMSD, RMSF, hydrogen bonds, RDF, clustering) • Free energy calculations and interaction analysis • Visualization and scientific figure preparation for publications I aim to deliver reliable computational results and clear analysis that support research projects, publications, and early-stage drug discovery studies.

専門分野

• ★ Molecular Modeling
• ★ Molecular Docking
• ★ Computational Chemistry
• ☆ Materials Science & Engineering
• ☆ Biomaterials
• ☆ Drug Discovery

サービス

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing

Research Meta-Research, Feasibility Study, Technology Scouting, Fact Checking, Gap Analysis

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Statistical Analysis, Image Processing, Image Analysis, Data Visualization, Big Data Analytics, Data Mining, Data Cleaning, Data Processing

職務経験

PhD candidate

Ho Chi Minh University of Technology

1月 2023 - 現在

学歴

PhD

Ho Chi Minh university of technology, VNU

9月 2023 - 現在

Master Engineering Physics

Ho Chi Minh University of Technology

9月 2019 - 9月 2021

Bachelor in Pharmacy

Ho Chi Minh City University of Medicine and Pharmacy - Viet Nam

8月 2008 - 8月 2013

認定資格

• Certified Specialty Pharmacist

  Ministry of Health

  2月 2016 - 現在

出版物

JOURNAL ARTICLE

Phuc Vu Le, Hanh Thi-Thu Tran (2026). Insights from molecular dynamics simulation into the interaction of chitosan and Bombyx mori fibroin . Physica Scripta.

Phuc Vu Le, Phi Minh Nguyen, Hoa Van Nguyen, Vi Toan Lam, Hanh Thi-Thu Tran, Duy Phuoc Tran (2025). Single layer graphene flake transformation from flat to convex . Discover Materials.