linear interaction energy

initialism: LIE
https://doi.org/10.1351/goldbook.11464

A method that forecasts ligand binding free energies using force field estimations of the receptor-ligand interactions and thermal conformational sampling.

Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 249 [Terms] [Paper]
Citation: 'linear interaction energy' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11464 RIS BibTex EndNote
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