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Logo for Enhancing Protein-Drug Binding Prediction
Life Sciences, Physical Sciences and Engineering

Enhancing Protein-Drug Binding Prediction

Combining molecular simulation and eScience technologies

  • Computational Chemistry
  • Graphs
  • molecular dynamics
  • + 1
Dec 2015 - Mar 2019
20
31
Logo for A Time Warp in Digital Chemical Discoveries
Physical Sciences and Engineering

A Time Warp in Digital Chemical Discoveries

Machine learning to enhance understanding and manipulation of chemical reactions

  • Machine learning
  • molecular dynamics
Jul 2023 - Dec 2024
0
1
Logo for GEMDAT
Physical Sciences and Engineering

GEMDAT

Developing a Generalized Molecular Dynamics Analysis Tool

  • Data Analysis
  • molecular dynamics
  • Plastic crystals
  • + 3
Jun 2023 - Apr 2025
0
0