Ontology highlight
ABSTRACT:
SUBMITTER: Hameduh T
PROVIDER: S-EPMC10369486 | biostudies-literature | 2023 Jul
REPOSITORIES: biostudies-literature
Hameduh Tareq T Mokry Michal M Miller Andrew D AD Heger Zbynek Z Haddad Yazan Y
Journal of chemical information and modeling 20230706 14
Side-chain rotamer prediction is one of the most critical late stages in protein 3D structure building. Highly advanced and specialized algorithms (e.g., FASPR, RASP, SCWRL4, and SCWRL4v) optimize this process by use of rotamer libraries, combinatorial searches, and scoring functions. We seek to identify the sources of key rotamer errors as a basis for correcting and improving the accuracy of protein modeling going forward. In order to evaluate the aforementioned programs, we process 2496 high-q ...[more]