Integrated computational approaches for identification of potent pyrazole-based glycogen synthase kinase-3β (GSK-3β) inhibitors: 3D-QSAR, virtual screening, docking, MM/GBSA, EC, MD simulation studies DOI

Desu Gayathri Niharika,

Punam Salaria, Amarendar Reddy M

и другие.

Molecular Diversity, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 19, 2024

Язык: Английский

Modeling 3D structures of PIK3CA and PIK3R1 genes based on homology modeling, molecular docking, molecular dynamics and MM-GBSA study against breast cancer: Insights from an in-silico approach DOI
Sanjeevi Pandiyan, Tao Ruan,

Zhuheng Zhong

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141580 - 141580

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Integrated computational approaches for identification of potent pyrazole-based glycogen synthase kinase-3β (GSK-3β) inhibitors: 3D-QSAR, virtual screening, docking, MM/GBSA, EC, MD simulation studies DOI

Desu Gayathri Niharika,

Punam Salaria, Amarendar Reddy M

и другие.

Molecular Diversity, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 19, 2024

Язык: Английский

Процитировано

0