Luis Alberto Campos, Mourad Sadqi, Victor Muñoz
Lessons about Protein Folding and Binding from Archetypal Folds
Accounts of chemical research
proteins interact diverse ligands perform large number biological functions gene expression signal transduction accurate identification proteinligand interactions crucial understanding molecular mechanisms development new drugs however traditional biological experiments timeconsuming expensive development highthroughput technologies increasing amount protein data available past decades many computational methods developed predict proteinligand interactions review comprehensive set 160 proteinligand interaction predictors cover proteinprotein proteinnucleic acid proteinpeptide proteinother ligands nucleotide heme ion interactions carried comprehensive analysis four types predictors several significant perspectives including inputs feature profiles models availability etc current methods primarily rely protein sequences especially utilizing evolutionary information significant improvement predictions attributed deep learning methods additionally sequencebased pretrained models structurebased approaches emerging new trends