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Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics.

Nikolai V. KrivoshchapovMichael G. Medvedev
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • inverse kinematics
  • robot arm
  • robot manipulators
  • end effector
  • evolutionary algorithm
  • real world
  • viewpoint
  • chemical compounds
  • pharmaceutical industry