Grid-Robust Efficient Neural Interface Model for Universal Molecule Surface Construction from Point Clouds.

ABSTRACT: Molecular surfaces play a pivotal role in elucidating the properties and functions of biological complexes. While various surfaces have been proposed for specific scenarios, their widespread adoption faces challenges due to limited efficiency stemming from hand-crafted modeling designs. In this work, we proposed a general framework that incorporates both the point cloud concept and neural networks. The use of matrix multiplication in this framework enables efficient implementation across diverse platforms and libraries. We applied this framework to develop the GENIUSES (Grid-robust Efficient Neural Interface for Universal Solvent-Excluded Surface) model for constructing SES. GENIUSES demonstrates high accuracy and efficiency across da

SUBMITTER: Wu Y 

PROVIDER: S-EPMC10577766 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature