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Accounting for conformational variability in protein-ligand docking with NMR-guided rescoring
Lars Skjærven
, Luca Codutti
, Andrea Angelini
, Manuela Grimaldi
, Dorota Latek
, Peter Monecke
, Matthias K Dreyer
,
Teresa Carlomagno
Biosciences
Research output
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peer-review
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Keyphrases
Protein-protein Docking
100%
Conformational Variation
100%
Rescoring
100%
Ligand-dependent
33%
NMR Techniques
33%
X-ray Crystallography
33%
Drug Design
33%
Molecular Modeling
33%
Homology Modeling
33%
Protein-ligand Interaction
33%
Model-dependent
33%
Multiple Ligands
33%
INPHARMA
33%
Experimental Information
33%
Docking Mode
33%
Difficult Cases
33%
Structure-based Drug Design
33%
Ligand-receptor Interaction
33%
Scoring Protocol
33%
Domain Rearrangements
33%
Biochemistry, Genetics and Molecular Biology
Protein-Ligand Docking
100%
Solution and Solubility
33%
X-Ray Crystallography
33%
Molecular Model
33%
Protein-Ligand Interaction
33%