GPCR建模。

A C M Paiva, L Oliveira, F Horn, R P Bywater, G Vriend
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引用次数: 5

摘要

多年来,为了许多不同的目的建立了许多GPCR模型,其中药物设计无疑是最常见的一个。2000年8月,牛视紫红质结构的发布使我们能够分析在那之前建立的模型,从而为我们今天建立的模型学习一些东西。我们得出结论,GPCR建模领域充斥着“常识”。牛视紫红质结构的几个特征是一个很大的惊喜,显然没有被预测到,这导致了模型的很大误差。然而,如果建模者更严格地遵守适用于所有模型的规则,即一个模型应该解释所有实验事实,而不仅仅是那些符合建模者先入为主的事实,那么这些意外中的一些是可以预测到的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Modeling GPCRs.

Many GPCR models have been built over the years for many different purposes, of which drug-design undoubtedly has been the most frequent one. The release of the structure of bovine rhodopsin in August 2000 enabled us to analyze models built before that period to learn things for the models we build today. We conclude that the GPCR modeling field is riddled with "common knowledge". Several characteristics of the bovine rhodopsin structure came as a big surprise, and had obviously not been predicted, which led to large errors in the models. Some of these surprises, however, could have been predicted if the modelers had more rigidly stuck to the rule that holds for all models, namely that a model should explain all experimental facts, and not just those facts that agree with the modeler's preconceptions.

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