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雀类:一种预测内在无序蛋白质分子间相互作用的计算框架。

FINCHES: A Computational Framework for Predicting Intermolecular Interactions in Intrinsically Disordered Proteins.

作者信息

Niazi Sarfaraz K

机构信息

College of Pharmacy, University of Illinois, Chicago, IL 60612, USA.

出版信息

Int J Mol Sci. 2025 Jun 28;26(13):6246. doi: 10.3390/ijms26136246.

Abstract

This comprehensive review examines FINCHES (Force field-based Interaction Network for Characterizing Heterotypic and Entropic Sequences). This groundbreaking computational framework enables the rapid, sequence-based prediction of intermolecular interactions in intrinsically disordered regions (IDRs) without the need for molecular simulations. The document provides detailed comparisons with other computational methods, including their mathematical foundations, specific applications, and experimental validations. We explore both the potential for advancing our understanding of disordered protein function and the inherent challenges in computationally modeling these dynamic biological systems. Additionally, we discuss computational assessment tools for interface prediction in molecular complexes, providing a comprehensive framework for evaluating IDR interaction predictions.

摘要

本全面综述探讨了FINCHES(用于表征异型和熵序列的基于力场的相互作用网络)。这个开创性的计算框架能够在无需分子模拟的情况下,基于序列快速预测内在无序区域(IDR)中的分子间相互作用。该文献与其他计算方法进行了详细比较,包括它们的数学基础、具体应用和实验验证。我们既探索了推进我们对无序蛋白质功能理解的潜力,也探讨了对这些动态生物系统进行计算建模时固有的挑战。此外,我们讨论了分子复合物中界面预测的计算评估工具,提供了一个评估IDR相互作用预测的全面框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68f7/12249864/05da8fde3b3b/ijms-26-06246-g001.jpg

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