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Recognizing pitfalls in virtual screening: a critical review.
Scior T, Bender A, Tresadern G, Medina-Franco JL, Martínez-Mayorga K, Langer T, Cuanalo-Contreras K, Agrafiotis DK. Scior T, et al. Among authors: agrafiotis dk. J Chem Inf Model. 2012 Apr 23;52(4):867-81. doi: 10.1021/ci200528d. Epub 2012 Apr 6. J Chem Inf Model. 2012. PMID: 22435959 Review.
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
Shanmugasundaram V, Bajorath J, Christoffersen RE, Petke JD, Howe WJ, Johnson MA, Agrafiotis DK, Lee P, Kuhn LA, Goodwin JT, Holloway MK, Doman TN, Walters WP, Schreyer S, Medina-Franco JL, Martinez-Mayorga K, Restifo LL. Shanmugasundaram V, et al. Among authors: agrafiotis dk. J Comput Aided Mol Des. 2022 Sep;36(9):623-638. doi: 10.1007/s10822-022-00473-2. Epub 2022 Sep 17. J Comput Aided Mol Des. 2022. PMID: 36114380
Library enhancement through the wisdom of crowds.
Hack MD, Rassokhin DN, Buyck C, Seierstad M, Skalkin A, ten Holte P, Jones TK, Mirzadegan T, Agrafiotis DK. Hack MD, et al. Among authors: agrafiotis dk. J Chem Inf Model. 2011 Dec 27;51(12):3275-86. doi: 10.1021/ci200446y. Epub 2011 Nov 14. J Chem Inf Model. 2011. PMID: 22035213
72 results