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Conformations and Physicochemical Properties of Biological Ligands in Various Environments.

Jean-Yves Le Questel
Published in: International journal of molecular sciences (2023)
An accurate description of the conformational behavior of drug-like molecules is often a prerequisite for a comprehensive understanding of their behavior, in particular in the targeted receptor surroundings [...].
Keyphrases
  • molecular dynamics simulations
  • cancer therapy
  • single molecule
  • drug delivery