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Editorial: Molecular Dynamics and Machine Learning in Drug Discovery

Subjects: computational chemistry (molecular design); Computer science; business.industry

  • Source: Frontiers in Molecular Biosciences, Vol 8 (2021)Frontiers in Molecular BiosciencesFrontiers in Molecular Biosciences, 8:673773. Frontiers Media S.A.

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Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations

Subjects: Computer science; drug design; coarse-grain

  • Source: Frontiers in Molecular BiosciencesFrontiers in Molecular Biosciences, Vol 8 (2021)Frontiers in Molecular Biosciences, 8:657222. Frontiers Media S.A.

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