Skip to yearly menu bar Skip to main content


Poster

SurfPro: Functional Protein Design Based on Continuous Surface

Zhenqiao Song · Tinglin Huang · Lei Li · Wengong Jin

Hall C 4-9 #112
[ ] [ Paper PDF ]
Tue 23 Jul 4:30 a.m. PDT — 6 a.m. PDT

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 amino acid sequence. We evaluate SurfPro on a standard inverse folding benchmark CATH 4.2 and two functional protein design tasks: protein binder design and enzyme design. Our SurfPro consistently surpasses previous state-of-the-art inverse folding methods, achieving a recovery rate of 57.78% on CATH 4.2 and higher success rates in terms of protein-protein binding and enzyme-substrate interaction scores

Chat is not available.