FMO DATABASE | Docking Entries

Docking Entries

Group	PDB	Ligand	Number of Entries	Registration Date	Reference	Reference_DOI	InitialStructure
3A2J-A-Docking265	3A2J	MOL	1	2021-07-02	https://doi.org/10.1016/j.bpc.2020.106540
3ALZ-AB-DOCKING371	3ALZ		13	2023-03-09
3INB-AC-DOCKING371	3INB		4	2023-03-09
4GJT-AB-DOCKING371	4GJT		4	2023-03-09
6A84-A-Docking63	6A84	056	4	2019-08-23		10.1021/acs.jmedchem.8b01888
6W63-AB-Docking457	6W63	1UN	4	2024-01-29	Handa, Y.; Okuwaki, K.; Kawashima, Y.; Hatada, R.; Mochizuki, Y.; Komeiji, Y.; Tanaka, S.; Furuishi, T.; Yonemochi, E.; Honma, T.; Fukuzawa, K. Prediction of Binding Pose and Affinity of SARS-CoV-2 Main Protease and Repositioned Drugs by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. J. Phys. Chem. B 2024, 128, 10, 2249-2265	10.1021/acs.jpcb.3c05564
Group	PDB	Ligand	Number of Entries	Registration Date	Reference	Reference_DOI	InitialStructure