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Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics.
Lucia Fusani
David S. Palmer
Don O. Somers
Ian D. Wall
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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drug design
virtual screening
drug discovery
chemical compounds
pose estimation
protein structure
dna binding
d objects
amino acids
protein protein
protein sequences
protein structure prediction
binding sites
protein folding
interaction networks
structural motifs