Post-translational modifications (PTMs) on proteins significantly enlarge the physicochemical diversity present in biological macromolecules, altering function, localization, and interactions. Despite their critical role in regulating cellular processes, theoretical methods are not yet fully capable of coping with this diversity. These limitations are particularly more marked for coarse-grained (CG) models, in which comprehensive and self-consistent parametrizations are less frequent. Here we present a set of topologies and interaction parameters for the most common PTMs, fully compatible with the SIRAH force field. The PTMs introduced here reach the same level of structural description of the existing SIRAH force field, expanding the chemical spectrum with promising applications in dynamical protein-protein interactions in large and complex cellular environments.

中文翻译：

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带有SIRAH力场的粗粒度水平的翻译后修改。

蛋白质上的翻译后修饰（PTM）大大增加了生物大分子中存在的物理化学多样性，改变功能，定位和相互作用。尽管它们在调节细胞过程中起着关键作用，但理论方法仍不能完全应对这种多样性。这些限制在粗粒度（CG）模型中尤为明显，在该模型中，全面，自洽的参数化设置不那么频繁。在这里，我们介绍了最常见的PTM的一组拓扑和交互参数，它们与SIRAH力场完全兼容。这里介绍的PTM达到了现有SIRAH力场的结构描述水平，