HIGHLIGHTS
SUMMARY
As a consequence, sequence analysis, molecular docking, molecular dynamics, structure-function relationships analysis, protein structure prediction and virtual screening are all well-known structural bioinformatics approaches for which PyMOL plugins have been developed over the years. PSSAs, Protein Sequences and Structures Analyses; PLI, Protein-Ligand Interactions (PLI); PD, Protein Dynamics. The template-based prediction of protein 3D quaternary_structures in complex with ligands and other heteroatoms requires: (i) databases search for homologous_protein (s) with known 3D structure (s); (ii) multiple sequence and structure alignments tools, and_(iii) algorithms for protein structure prediction and quality assessment . . .
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