标题： 桥接经典分子动力学与量子基础以进行全面的蛋白质结构分析 显示英文标题

标题： Bridging Classical Molecular Dynamics and Quantum Foundations for Comprehensive Protein Structural Analysis

摘要： 本文的目的是通过一系列整合公开可用结构数据、详细力场参数和全面分析协议的分子动力学模拟，研究淀粉样前体蛋白（APP）、Tau和α-突触核蛋白之间的结构稳定性、动态特性及潜在相互作用。 通过关注这三种蛋白质，它们各自与多种神经退行性疾病有关，该研究旨在阐明它们的构象变化和蛋白质间接触位点如何影响更大的生物过程。 通过对其折叠行为、能量相互作用和残基特异性功能的严格评估，这项工作有助于更广泛地理解蛋白质聚集机制，并提供可能最终指导治疗干预策略的见解。 显示英文摘要

摘要： The objective of this paper is to investigate the structural stability, dynamic properties, and potential interactions among Amyloid Precursor Protein (APP), Tau, and Alpha-synuclein through a series of molecular dynamics simulations that integrate publicly available structural data, detailed force-field parameters, and comprehensive analytical protocols. By focusing on these three proteins, which are each implicated in various neurodegenerative disorders, the study aims to elucidate how their conformational changes and interprotein contact sites may influence larger biological processes. Through rigorous evaluation of their folding behaviors, energetic interactions, and residue-specific functions, this work contributes to the broader understanding of protein aggregation mechanisms and offers insights that may ultimately guide therapeutic intervention strategies.