Virtual screening articles within Nature

Featured

  • Article |

    V-SYNTHES, a scalable and computationally cost-effective synthon-based approach to compound screening, identified compounds with a high affinity for CB2 and CB1 in a hierarchical structure-based screen of more than 11 billion compounds.

    • Arman A. Sadybekov
    • , Anastasiia V. Sadybekov
    •  & Vsevolod Katritch

  • Article |

    VirtualFlow, an open-source drug discovery platform, enables the efficient preparation and virtual screening of ultra-large ligand libraries to identify molecules that bind with high affinity to target proteins.

    • Christoph Gorgulla
    • , Andras Boeszoermenyi
    •  & Haribabu Arthanari

  • Letter |

    Using a structure-based approach, small molecule inhibitors that selectively target the GTPase Ral are identified and characterized; these first-generation inhibitors will be valuable tools for elucidating the Ral signalling pathway and constitute a step towards developing Ral-specific agents for cancer therapy.

    • Chao Yan
    • , Degang Liu
    •  & Dan Theodorescu

  • Letter |

    A genome-wide association study meta-analysis of more than 100,000 subjects of European and Asian ancestries reveals 42 new risk loci for rheumatoid arthritis, with follow-up studies identifying 98 biological candidate genes that are either already being targeted by drugs or could be in the future.

    • Yukinori Okada
    • , Di Wu
    •  & Robert M. Plenge

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