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Receptor-based virtual screening protocol for drug discovery.
Cerqueira NM, Gesto D, Oliveira EF, Santos-Martins D, Brás NF, Sousa SF, Fernandes PA, Ramos MJ. Cerqueira NM, et al. Among authors: sousa sf. Arch Biochem Biophys. 2015 Sep 15;582:56-67. doi: 10.1016/j.abb.2015.05.011. Epub 2015 Jun 1. Arch Biochem Biophys. 2015. PMID: 26045247 Review.
General performance of density functionals.
Sousa SF, Fernandes PA, Ramos MJ. Sousa SF, et al. J Phys Chem A. 2007 Oct 25;111(42):10439-52. doi: 10.1021/jp0734474. Epub 2007 Aug 25. J Phys Chem A. 2007. PMID: 17718548
170 results