Energetic contributions of amino acid residues and its cross-talk to delineate ligand-binding mechanism. [electronic resource]
- Proteins 09 2020
- 1207-1225 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1097-0134
10.1002/prot.25894 doi
Amino Acids Animals Binding Sites Datasets as Topic Enzymes--chemistry Escherichia coli--enzymology Gene Expression Humans Internet Kinetics Ligands Mice Molecular Docking Simulation Mutation Mycobacterium tuberculosis--enzymology Principal Component Analysis Protein Binding Protein Conformation, alpha-Helical Protein Conformation, beta-Strand Protein Interaction Domains and Motifs Software Substrate Specificity Thermodynamics