SurfPro: Functional Protein Design Based on Continuous Surface

arXiv:2405.06693v1 Announce Type: cross
Abstract: How can we design proteins with desired functions? We are motivated by a chemical intuition that both geometric structure and biochemical properties are critical to a protein's function. In this paper, we propose SurfPro, a new method to generate functional proteins given a desired surface and its associated biochemical properties. SurfPro comprises a hierarchical encoder that progressively models the geometric shape and biochemical features of a protein surface, and an autoregressive decoder to produce an …

abstract arxiv continuous cs.lg design function functional functions generate intuition paper protein proteins q-bio.bm surface type