Article
MANORAA (Mapping Analogous Nuclei Onto Residue And Affinity) for identifying protein-ligand fragment interaction, pathways and SNPs.
Nucleic acids research - 8 Jul 2016
Tanramluk Duangrudee, Narupiyakul Lalita, Akavipat Ruj, Gong Sungsam, Charoensawan Varodom
Abstract excerpt
Protein-ligand interaction analysis is an important step of drug design and protein engineering in order to predict the binding affinity and selectivity between ligands to the target proteins. To date, there are more than 100 000 structures available in the Protein Data Bank (PDB), of which ∼30% are protein-ligand (MW below 1000 Da) complexes. We have developed the integrative web server MANORAA (Mapping...
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