FASPR is a method for structural modeling of protein side-chain conformations.
Starting from a backbone structure, FASPR samples the side-chain rotamers for each amino acid
from the Dunbrack 2010 rotamer library with the atomic interaction energies calculated using an optimized
scoring function extended from EvoEF2,
where side-chain packing search is performed using a deterministic searching algorithm
combining dead-end elimination and tree decomposition.
The large-scale benchmark tests showed that FASPR outperforms the current state-of-the-art
protein side-chain packers on both native and non-native backbones with higher accuracy
in terms of side-chain dihedral angle (Chi1-4) recovery rate and RMSD. FASPR is also much faster than these packers
and packs 379 protein structures within 0.6 min in the becnhmark tests.
Please direct questions and inquiries to our Service System Discussion Board or contact Dr. Xiaoqiang Huang.
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