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A molecular evolution algorithm for ligand design in DOCK.
Prentis LE, Singleton CD, Bickel JD, Allen WJ, Rizzo RC. Prentis LE, et al. Among authors: rizzo rc. J Comput Chem. 2022 Nov 5;43(29):1942-1963. doi: 10.1002/jcc.26993. Epub 2022 Sep 8. J Comput Chem. 2022. PMID: 36073674 Free PMC article.
Computer-Aided Approaches for Targeting HIVgp41.
Allen WJ, Rizzo RC. Allen WJ, et al. Among authors: rizzo rc. Biology (Basel). 2012 Aug 20;1(2):311-38. doi: 10.3390/biology1020311. Biology (Basel). 2012. PMID: 23730525 Free PMC article.
Pharmacophore-based similarity scoring for DOCK.
Jiang L, Rizzo RC. Jiang L, et al. Among authors: rizzo rc. J Phys Chem B. 2015 Jan 22;119(3):1083-102. doi: 10.1021/jp506555w. Epub 2014 Oct 10. J Phys Chem B. 2015. PMID: 25229837 Free PMC article.
DOCK 6: Impact of new features and current docking performance.
Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. Allen WJ, et al. Among authors: rizzo rc. J Comput Chem. 2015 Jun 5;36(15):1132-56. doi: 10.1002/jcc.23905. J Comput Chem. 2015. PMID: 25914306 Free PMC article.
Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation.
Allen WJ, Yi HA, Gochin M, Jacobs A, Rizzo RC. Allen WJ, et al. Among authors: rizzo rc. Bioorg Med Chem Lett. 2015 Jul 15;25(14):2853-9. doi: 10.1016/j.bmcl.2015.04.067. Epub 2015 Apr 28. Bioorg Med Chem Lett. 2015. PMID: 26013847 Free PMC article.
59 results