FASPR: an open-source tool for fast and accurate protein side-chain packing.

ABSTRACT:

Motivation

Protein structure and function are essentially determined by how the side-chain atoms interact with each other. Thus, accurate protein side-chain packing (PSCP) is a critical step toward protein structure prediction and protein design. Despite the importance of the problem, however, the accuracy and speed of current PSCP programs are still not satisfactory.

Results

We present FASPR for fast and accurate PSCP by using an optimized scoring function in combination with a deterministic searching algorithm. The performance of FASPR was compared with four state-of-the-art PSCP methods (CISRR, RASP, SCATD and SCWRL4) on both native and non-native protein backbones. For the assessment on native backbones, FASPR achieved a good performance by correctly predicting 69.1% of

SUBMITTER: Huang X 

PROVIDER: S-EPMC7320614 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature