Beware of docking!
By Yu-chian Chen. 2015
550 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Molecular Biology, Computational Chemistry & Drug Discovery
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Computational Theory and Mathematics
- Glaucius Oliva
- L. Ferreira
- Ricardo N Dos Santos
- Tatu Pantsar
- Christy M Babu
- Swetha Dhamercherla
- M. Ahsan
- Adriano Defini Andricopulo
In Molecular Biology
- Glaucius Oliva
- L. Ferreira
- Ricardo N Dos Santos
- Tatu Pantsar
- Christy M Babu
- Swetha Dhamercherla
- M. Ahsan
- Adriano Defini Andricopulo
In Computational Chemistry & Drug Discovery
- Tatu Pantsar
- Glaucius Oliva
- Christy M Babu
- Swetha Dhamercherla
- M. Ahsan
- Adriano Defini Andricopulo
- L. Ferreira
- Antti Poso
Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “When a MD-generated ligand conformation deviates by more than a given RMSD value from the corresponding docking solution, the predicted ligand-receptor complex can be considered unstable [102].”
- Machine Learning in Drug Discovery: A Review (2021, methodology): “When 3D-protein structure was accessible then molecular docking process can be widely utilized (Chen 2015).”
- Binding Affinity via Docking: Fact and Fiction (2018, background): “Obviously, these simplifications affect the quality of the generated poses, which may be artificial [13].”