Login / Signup

Structural Distortion of β-Cyclodextrin Plays a Key Role in the pH-dependent Host-Guest Chemistry with Doxorubicin, Evident by the Electrochemical and Molecular Dynamics Approach.

Jyotsnamayee NayakAshita SoodMahesh KulhariaSuban K. SahooRajender Kumar
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • molecular dynamics
  • scientific data
  • high performance computing
  • molecular dynamics simulations
  • protein folding
  • data analysis
  • virtual machine
  • fluid flow
  • digital libraries