Department of Food Sciences, University of Tennessee, Knoxville, TN 37996, USA add Show full affiliation list * Authors to whom correspondence should be addressed. Nutrients 2021, 13(6), 1881; https://doi.org/10.3390/nu13061881 Submission received: 17 March 2021 / Revised: 20 May 2021 ...
The very first structure-based molecular docking program was published by Kuntz [167] 40 years ago, which used the 3D structure of the target protein to guide the automated search for organic chemical structures based on geometric (and later chemical) complementarity between the molecule and the ...