Ontology highlight
ABSTRACT:
SUBMITTER: Xiao S
PROVIDER: S-EPMC9309527 | biostudies-literature | 2022
REPOSITORIES: biostudies-literature
Xiao Sian S Tian Hao H Tao Peng P
Frontiers in molecular biosciences 20220711
Allostery is a fundamental process in regulating protein activities. The discovery, design, and development of allosteric drugs demand better identification of allosteric sites. Several computational methods have been developed previously to predict allosteric sites using static pocket features and protein dynamics. Here, we define a baseline model for allosteric site prediction and present a computational model using automated machine learning. Our model, PASSer2.0, advanced the previous result ...[more]