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The emerging potential of interactive virtual reality in drug discovery.
Walters RK, Gale EM, Barnoud J, Glowacki DR, Mulholland AJ. Walters RK, et al. Among authors: glowacki dr. Expert Opin Drug Discov. 2022 Jul;17(7):685-698. doi: 10.1080/17460441.2022.2079632. Epub 2022 Jun 2. Expert Opin Drug Discov. 2022. PMID: 35638298
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding.
Chan HTH, Moesser MA, Walters RK, Malla TR, Twidale RM, John T, Deeks HM, Johnston-Wood T, Mikhailov V, Sessions RB, Dawson W, Salah E, Lukacik P, Strain-Damerell C, Owen CD, Nakajima T, Świderek K, Lodola A, Moliner V, Glowacki DR, Spencer J, Walsh MA, Schofield CJ, Genovese L, Shoemark DK, Mulholland AJ, Duarte F, Morris GM. Chan HTH, et al. Among authors: glowacki dr. Chem Sci. 2021 Sep 6;12(41):13686-13703. doi: 10.1039/d1sc03628a. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760153 Free PMC article.
AutoMeKin2021: An open-source program for automated reaction discovery.
Martínez-Núñez E, Barnes GL, Glowacki DR, Kopec S, Peláez D, Rodríguez A, Rodríguez-Fernández R, Shannon RJ, Stewart JJP, Tahoces PG, Vazquez SA. Martínez-Núñez E, et al. Among authors: glowacki dr. J Comput Chem. 2021 Oct 30;42(28):2036-2048. doi: 10.1002/jcc.26734. Epub 2021 Aug 13. J Comput Chem. 2021. PMID: 34387374 Free article.
83 results