Olivares-Quiroz Luis, Gonzalez Olvera Marcos Angel
Academia de Física y Posgrado en Ciencias de la Complejidad, Universidad Autónoma de la Ciudad de México, Prol. San Isidro 151, San Lorenzo Tezonco, Iztapalapa, Ciudad de Mexico, 09790 CDMX Mexico.
Colegio de Ciencia y Tecnología, Universidad Autónoma de la Ciudad de México, Prol. San Isidro 151, San Lorenzo Tezonco, Iztapalapa, Mexico City, 09790 CDMX Mexico.
Biophys Rev. 2025 Feb 10;17(2):247-257. doi: 10.1007/s12551-025-01281-2. eCollection 2025 Apr.
In this work, we present a brief and concise review about the main features of protein folding which is one of the central research questions at the interface of physics, molecular biology, and computational sciences. We describe the physical foundations of the protein folding phenomenon itself and how it arises as both a free energy minimization process combined with a hydrophobic collapse of the enzyme molten globule due to inter and intramolecular forces among amino acid residues themselves and water molecules. We cover briefly some basic statistical physics-based models to predict the thermodynamic properties of the protein folding transition. Then, we focus our attention on the implementation of computational algorithms designed to minimize energy functions in polypeptides.
在这项工作中,我们对蛋白质折叠的主要特征进行了简要而精炼的综述,蛋白质折叠是物理学、分子生物学和计算科学交叉领域的核心研究问题之一。我们描述了蛋白质折叠现象本身的物理基础,以及它如何作为一种自由能最小化过程出现,同时伴随着由于氨基酸残基自身以及与水分子之间的分子间和分子内力导致的酶促熔球态的疏水塌缩。我们简要介绍了一些基于统计物理学的基本模型,以预测蛋白质折叠转变的热力学性质。然后,我们将注意力集中在旨在使多肽能量函数最小化的计算算法的实现上。