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Vincent has a huge interest to explore nature of biophysics by developing computational methods including application and algorithm of molecular modeling and machine learning.

Home Department: Center for Biophysics and Quantitative Biology

Office Address: 3157 Beckman Institute, 405 N Matthews Ave, Urbana, IL 61801

Email Address: yunsenz2@illinois.edu


Education

University of Illinois Urbana-Champaign

  • PhD student, Computational biophysics (from 15/08/2024 to now)
  • Supervised by Dr. Emad Tajkhorshid

University of Macau

  • Mphil, Computational pharmaceutics (from 08/08/2021 to 31/07/2023)
  • Supervised by Dr. Defang Ouyang

Chengdu University of Traditional Chinese Medicine

  • BSc, Pharmaceutics (from 06/09/2017 to 18/06/2021)

Research Interests

Application of molecular modeling in biophysical systems

  • Exploration of lipid-mediated drug release mechanism of ABC transporter
  • Prediction of drug permeability for cell membrane process with enhanced sampling algorithm
  • Prediction of cohesive energy density of organic small molecules with molecular dynamics simulation
  • Investigation of mRNA lipid nanoparticle via coarse-grained molecular dynamics simulation
  • Molecular modeling for drug delivery systems including cyclodextrin, micelle, liposome, self-assembly nanoparticle, solid dispersion and etc

Software development

  • FormulationMM
  • Ion Channel Simulator (to be released)
  • VMD-mcp (to be released)
  • MsciPy (to be released)
  • FormulationLNP (to be released)

Machine learning

  • Integrating machine learning and molecular modeling to predict physical-chemical properties of biological systems
  • AI-driven nanopore protein design

Publications

(Citations: 1014, h-index: 12, updated by 07/02/2025)

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