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
Bruno Rizzuti;
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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Rizzuti and Grande, in Pey A.L. (ed.) Protein Homeostasis Diseases Mechanisms and Novel Therapies 2020; Chapter 14,309-327.pdf
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Descrizione: Rizzuti and Grande, in Pey A.L. (ed.) Protein Homeostasis Diseases Mechanisms and Novel Therapies 2020; Chapter 14,309-327
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