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Considering a dataset comprising 3D conformations of Dopamine receptors in an inactive state, we aim to train a generative model capable of capturing the distribution of these receptors and generating new 3D conformations. How can we ensure that the generated 3D conformations correspond to valid representations of Dopamine receptors, particularly in the context of protein design?

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  • $\begingroup$ The hardest but most robust method would be to express, crystallize, and solve structures for the proposed dopamine receptors. Are you specifically interested in bioinformatic methods? $\endgroup$ Oct 30, 2023 at 20:05

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