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SENSAAS-Flex: a joint optimization approach for aligning 3D shapes and exploring the molecular conformation space.

Hamza BiyuzanMohamed-Akram MasrourLucas GrandmouginFrédéric PayanDominique Douguet
Published in: Bioinformatics (Oxford, England) (2024)
The documentation and source code are available at https://chemoinfo.ipmc.cnrs.fr/Sensaas-flex/sensaas-flex-main.tar.gz.
Keyphrases
  • electronic health record
  • molecular dynamics simulations