Concepedia

Insighting the inhibitory potential of novel modafinil drug derivatives against estrogen alpha (ERα) of breast cancer through a triple hybrid computational methodology

Afsheen Saba, Fatima Sarwar, Shabbir Muhammad, Mubashar Ilyas, Javed Iqbal, Abdullah G. Al‐Sehemi, Khurshid Ayub, Mazhar Amjad Gilani, Muhammad Adnan

Journal of Molecular Liquids · 2022 · 29 citations · 48 references

DOI

Concepts

References

48

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Reporting results of cancer treatment

A. B. Miller, Barth Hoogstraten, M. Staquet et al. · Cancer · 1981 · 7.9K citations

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LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

Andrew C. Wallace, Roman A. Laskowski, Janet M. Thornton · Protein Engineering Design and Selection · 1995 · 5.7K citations

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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles

Robert B. Best, Xiao Zhu, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2012 · 4.8K citations

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CB-Dock: a web server for cavity detection-guided protein–ligand blind docking

Yang Liu, Maximilian Grimm, Wentao Dai et al. · Acta Pharmacologica Sinica · 2019 · 873 citations · Full text

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