Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results.

Tim ten Brink Thomas E. Exner

Published in: J. Chem. Inf. Model. (2009)

Keyphrases

ligand docking
protein structure prediction
protein sequences
protein structure
genetic algorithm
protein folding
social influence
amino acids
sequence alignment
initial state
social networks
personality traits
contact map
molecular dynamics
dead end
tandem mass spectra
data mining