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Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics.
Nikolai V. Krivoshchapov
Michael G. Medvedev
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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inverse kinematics
robot arm
robot manipulators
end effector
evolutionary algorithm
real world
viewpoint
chemical compounds
pharmaceutical industry