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Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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What has virtual screening ever done for drug discovery?

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ChemInform Abstract: Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics‐Based Ligand Charges and a Hybrid Water Model.

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Additional file 1 of Antioxidant evaluation and computational prediction of prospective drug-like compounds from polyphenolic-rich extract of Hibiscus cannabinus L. seed as antidiabetic and neuroprotective targets: assessment through in vitro and in silico studies

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