- "Docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target are bound to each other to form a stable complex."
Process of predicting the binding of a small molecule to a target protein or nucleic acid.
- "Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules."
- "The associations between biologically relevant molecules such as proteins, peptides, nucleic acids, carbohydrates, and lipids play a central role in signal transduction."
- "Furthermore, the relative orientation of the two interacting partners may affect the type of signal produced (e.g., agonism vs antagonism)."
- "Molecular docking is one of the most frequently used methods in structure-based drug design, due to its ability to predict the binding-conformation of small molecule ligands to the appropriate target binding site."
- "Characterisation of the binding behaviour plays an important role in rational design of drugs."
- "Proteins, peptides, nucleic acids, carbohydrates, and lipids."
- "When a ligand and a target are bound to each other to form a stable complex."
- "Scoring functions may be used to predict the strength of association or binding affinity between two molecules."
- "Characterisation of the binding behaviour plays an important role...to elucidate fundamental biochemical processes."
- "Molecular docking is one of the most frequently used methods...to predict the binding-conformation of small molecule ligands to the appropriate target binding site."
- "Docking is useful for predicting both the strength and type of signal produced."
- "The associations between biologically relevant molecules such as proteins, peptides, nucleic acids, carbohydrates, and lipids play a central role in signal transduction."
- "Docking is a method which predicts the preferred orientation...to predict the strength of association or binding affinity between two molecules."
- "Molecular docking is one of the most frequently used methods in structure-based drug design."
- "Proteins, peptides, nucleic acids, carbohydrates, and lipids."
- "Furthermore, the relative orientation of the two interacting partners may affect the type of signal produced (e.g., agonism vs antagonism)."
- "Knowledge of the preferred orientation...may be used to predict the strength of association or binding affinity between two molecules."
- "Characterisation of the binding behaviour plays an important role in rational design of drugs."
- "Characterisation of the binding behaviour plays an important role to elucidate fundamental biochemical processes."