Computational chemistry provides versatile methods for studying the properties and functioning of biological systems at different levels of precision and at different time scales. The aim of this article is to review the computational methodologies that are applicable to rhodopsins as archetypes for photoactive membrane proteins that are of great importance both in nature and in modern technologies. For each class of computational techniques, from methods that use quantum mechanics for simulating rhodopsin photophysics to less-accurate coarse-grained methodologies used for long-scale protein dynamics, we consider possible applications and the main directions for improvement.

中文翻译：

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膜嵌入视紫红质的量子力学和分子力学建模。

计算化学提供了多种方法来研究生物系统在不同的精度水平和不同的时间尺度下的特性和功能。本文的目的是回顾适用于视紫红质作为光敏膜蛋白原型的计算方法，该方法在自然界和现代技术中都非常重要。对于每类计算技术，从使用量子力学模拟视紫红质光物理的方法到用于大规模蛋白质动力学的较不精确的粗粒度方法，我们都考虑可能的应用和主要改进方向。