3D-QSAR, molecular dynamics simulations and molecular docking studies of benzoxazepine moiety as mTOR inhibitor for the treatment of lung cancer

2016 ◽  
Vol 26 (3) ◽  
pp. 864-874 ◽  
Author(s):  
Udit Chaube ◽  
Dhara Chhatbar ◽  
Hardik Bhatt
Keyword(s):  
Lung Cancer ◽  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulations ◽  
Mtor Inhibitor ◽  
3D Qsar ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Dynamics Simulations

scholarly journals Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies

2017 ◽  
Vol 7 (1) ◽  
Author(s):  
Ricardo J. Ferreira ◽  
Cátia A. Bonito ◽  
M. Natália D. S. Cordeiro ◽  
Maria-José U. Ferreira ◽  
Daniel J. V. A. dos Santos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Structure Function ◽  
Molecular Dynamics Simulations ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Dynamics Simulations

scholarly journals Author Correction: Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Ricardo J. Ferreira ◽  
Cátia A. Bonito ◽  
M. Natália D. S. Cordeiro ◽  
Maria-José U. Ferreira ◽  
Daniel J. V. A. dos Santos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Structure Function ◽  
Molecular Dynamics Simulations ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Dynamics Simulations

3D-QSAR, Molecular docking and Molecular Dynamics Simulations Analysis of a Series of Heteroaryldihydropyrimidine Derivatives as a Hepatitis B Virus Capsid Assembly Inhibitors

2021 ◽  
Author(s):  
Lu Chen ◽  
Wen-Guang Liu ◽  
Fei Xiong ◽  
Chao Ma ◽  
Chen Sun ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Hepatitis B Virus ◽  
Hepatitis B ◽  
Molecular Dynamics Simulations ◽  
3D Qsar ◽  
Vital Role ◽  
Life Cycles ◽  
B Virus ◽  
Dynamics Simulations

HBV capsid protein (CP) plays a vital role in multiple life cycles of HBV and represents a novel anti-HBV target. Recently, a novel series of heteroaryldihydropyrimidine (HAPs) derivatives have been...

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