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Varun Dewaker

Central Drug Research Institute

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Instigating the In Vitro Anticancer Activity of New Pyridine-Thiazole-Based Co(III), Mn(II), and Ni(II) Complexes: Synthesis, Structure, DFT, Docking, and MD Simulation Studies.

2022 J. Chem. Inf. Model.
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Non-bonding energy directed designing of HDAC2 inhibitors through molecular dynamics simulation.

2021 Journal of Biomolecular Structure & Dynamics
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Investigation of HDAC8-ligands' intermolecular forces through molecular dynamics simulations: profiling of non-bonding energies to design potential compounds as new anti-cancer agents.

2020 Journal of Biomolecular Structure & Dynamics
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Designing of Potential Hdac8-Inhibitors Based on Non-Bonding Energy Profiles of Protein-Ligand Interactions: An Molecular Dynamics Simulation Approach

2020 Social Science Research Network
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