based protonation states and microspecies for protein-ligand docking.

Tim ten Brink Thomas E. Exner

Published in: J. Comput. Aided Mol. Des. (2010)

Keyphrases

ligand docking
protein sequences
protein structure
amino acids
protein structure prediction
molecular structures
machine learning
protein folding
sequence analysis
partial knowledge
molecular dynamics
cellular processes
subcellular localization
protein protein interaction networks