ACS Omega
(Jul 2024)
Molecular Dynamics Simulation on the Suppression Mechanism of Phosphorylation to Ser222 by Allosteric Inhibitors Targeting MEK1/2 Kinase
- Sathish K. Mudedla,
- Hayoung Lee,
- Jeom Ji Kim,
- Seong Hun Jang,
- Munikumar R. Doddareddy,
- Swetha Y. Sanam,
- Rochish Gundabathula,
- Jang-June Park,
- Sangwook Wu
Affiliations
- Sathish K. Mudedla
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- Hayoung Lee
- Drug Discovery Division, ISU Abxis, Seongnam-si, Gyeonggi-do, Korea
- Jeom Ji Kim
- Drug Discovery Division, ISU Abxis, Seongnam-si, Gyeonggi-do, Korea
- Seong Hun Jang
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- Munikumar R. Doddareddy
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- Swetha Y. Sanam
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- Rochish Gundabathula
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- Jang-June Park
- Drug Discovery Division, ISU Abxis, Seongnam-si, Gyeonggi-do, Korea
- Sangwook Wu
- PharmCADD, 224, Engineering Building 7, Busan, Korea
- DOI
-
https://doi.org/10.1021/acsomega.4c03615
- Journal volume & issue
-
Vol. 9,
no. 29
pp.
31946
– 31956
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