Introduction: the drug discovery process. Accurate determination of binding affinity in a receptor-ligand complex. Speeding up the search process through approximate scoring functions. From binding properties to the identification of molecular descriptors. Organizing distinct simulation techniques into a screening protocol. References.
Virtual screening in drug discovery: a precious tool for a still-demanding challenge
Rizzuti Bruno;
2020
Abstract
Introduction: the drug discovery process. Accurate determination of binding affinity in a receptor-ligand complex. Speeding up the search process through approximate scoring functions. From binding properties to the identification of molecular descriptors. Organizing distinct simulation techniques into a screening protocol. References.File in questo prodotto:
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