Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200188
- By:
- Publication type:
- Article
Works matching IS 18681743 AND DT 2023 AND VI 42 AND IP 2
Results: 6
1
2
FSDscore: An Effective Target‐focused Scoring Criterion for Virtual Screening.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200039
- By:
- Publication type:
- Article
3
Cover Picture: (Mol. Inf. 2/2023).
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202380201
- Publication type:
- Article
4
Quantum‐based Modeling of Protein‐ligand Interaction: The Complex of RutA with Uracil and Molecular Oxygen.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200175
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- Publication type:
- Article
5
Inhibitor Assessment against the LpxC Enzyme of Antibiotic‐resistant Acinetobacter baumannii Using Virtual Screening, Dynamics Simulation, and in vitro Assays.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200061
- By:
- Publication type:
- Article
6
Experimentally Validated Novel Factor XIIa Inhibitors Identified by Docking and Quantum Chemical Post‐processing.
- Published in:
- Molecular Informatics, 2023, v. 42, n. 2, p. 1, doi. 10.1002/minf.202200205
- By:
- Publication type:
- Article