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• Cyclic Peptide Structure Prediction via Structural Ensembles Achieved by Molecular Dynamics and Machine Learning (StrEAMM)

  ­Efficient Development of Orally-Bioavailable Cyclic-Peptide Drugs via Molecular Dynamics + Machine Learning BACKGROUND Cyclic peptides are a promising drug modality, combining beneficial traits from both small molecules and antibody or protein therapeutics. While many scientists think that cyclic peptides are key to providing orally-available...

  Published: 8/7/2023

  Inventor(s): Yu-Shan Lin, Jiayuan Miao

  Keywords(s):  

  Category(s): Screening: combinatorial chemistry, Software

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