研究团队将PocketXMol应用于设计caspase-9小分子抑制剂,其效力与商业化的泛caspase抑制剂相当;研究团队还使用PocketXMol生成了PD-L1结合多肽,成功率远超文库筛选,结合亲和力达纳摩尔级,可特异性结合 PD-L1 阳性细胞,配体抑制实验和体内肺肿瘤成像验证了其治疗和诊断潜力。PocketXMol在13个计算基准中的11个上取得了最先进(SOTA)表现,在其余2个中也保持了竞争力,超越了55个基线模型。
BRT — 11 a.m.
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A merge function. This is a function that takes some state (probably received from another peer) and merges it with the local state.