Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

Open Access

Peer-reviewed

Research Article

Sharad Verma,

Affiliation School of Biotechnology, Jawaharlal Nehru University, New Delhi, India
⨯
Sonam Grover,

Affiliation Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India
⨯
Chetna Tyagi,

Affiliation School of Biotechnology, Jawaharlal Nehru University, New Delhi, India
⨯
Sukriti Goyal,

Affiliation Department of Bioscience and Biotechnology, Banasthali Vidyapith, Tonk, Rajasthan, India
⨯
Salma Jamal,

Affiliation Department of Bioscience and Biotechnology, Banasthali Vidyapith, Tonk, Rajasthan, India
⨯
Aditi Singh,

Affiliation Department of Biotechnology, TERI University, Vasant Kunj, New Delhi, India
⨯
Abhinav Grover

* E-mail: abhinavgr@gmail.com

Affiliation School of Biotechnology, Jawaharlal Nehru University, New Delhi, India
⨯

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Free energy
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Molecular dynamics
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Biochemical simulations
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Solvation
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Principal component analysis
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Radii
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Covariance
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Molecular docking
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