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通过人工智能的突破推进结构生物学发展。

Advancing structural biology through breakthroughs in AI.

机构信息

CHARM Therapeutics Ltd., The Stanley Building, 7 St. Pancras Square, London, N1C 4AG, UK.

CHARM Therapeutics Ltd., The Stanley Building, 7 St. Pancras Square, London, N1C 4AG, UK.

出版信息

Curr Opin Struct Biol. 2023 Jun;80:102601. doi: 10.1016/j.sbi.2023.102601. Epub 2023 May 12.

DOI:10.1016/j.sbi.2023.102601
PMID:37182397
Abstract

The past century has witnessed an exponential increase in our atomic-level understanding of molecular and cellular mechanisms from a structural perspective, with multiple landmark achievements contributing to the field. This, coupled with recent and continuing breakthroughs in artificial intelligence methods such as AlphaFold2, and enhanced computational power, is enabling our understanding of protein structure and function at unprecedented levels of accuracy and predictivity. Here, we describe some of the major recent advances across these fields, and describe, as these technologies coalesce, the potential to utilise our enhanced knowledge of intricate cellular and molecular systems to discover novel therapeutics to alleviate human suffering.

摘要

上个世纪,我们在从结构角度理解分子和细胞机制方面的原子水平上的认识呈指数级增长,多项具有里程碑意义的成就为该领域做出了贡献。此外,最近和持续的人工智能方法的突破,如 AlphaFold2,以及增强的计算能力,使我们能够以前所未有的准确性和可预测性来理解蛋白质的结构和功能。在这里,我们描述了这些领域的一些主要的最新进展,并描述了随着这些技术的融合,利用我们对复杂的细胞和分子系统的深入了解来发现新的治疗方法以减轻人类痛苦的潜力。

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