Ontology highlight
ABSTRACT:
SUBMITTER: Randolph NZ
PROVIDER: S-EPMC10769188 | biostudies-literature | 2023 Dec
REPOSITORIES: biostudies-literature
Randolph Nicholas Z NZ Kuhlman Brian B
bioRxiv : the preprint server for biology 20231221
Protein side chain packing (PSCP) is a fundamental problem in the field of protein engineering, as high-confidence and low-energy conformations of amino acid side chains are crucial for understanding (and designing) protein folding, protein-protein interactions, and protein-ligand interactions. Traditional PSCP methods (such as the Rosetta Packer) often rely on a library of discrete side chain conformations, or rotamers, and a forcefield to guide the structure to low-energy conformations. Recent ...[more]