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Artificial intelligence in chemistry and drug design.
Brown N, Ertl P, Lewis R, Luksch T, Reker D, Schneider N. Brown N, et al. Among authors: reker d. J Comput Aided Mol Des. 2020 Jul;34(7):709-715. doi: 10.1007/s10822-020-00317-x. J Comput Aided Mol Des. 2020. PMID: 32468207 Review. No abstract available.
Computationally guided high-throughput design of self-assembling drug nanoparticles.
Reker D, Rybakova Y, Kirtane AR, Cao R, Yang JW, Navamajiti N, Gardner A, Zhang RM, Esfandiary T, L'Heureux J, von Erlach T, Smekalova EM, Leboeuf D, Hess K, Lopes A, Rogner J, Collins J, Tamang SM, Ishida K, Chamberlain P, Yun D, Lytton-Jean A, Soule CK, Cheah JH, Hayward AM, Langer R, Traverso G. Reker D, et al. Nat Nanotechnol. 2021 Jun;16(6):725-733. doi: 10.1038/s41565-021-00870-y. Epub 2021 Mar 25. Nat Nanotechnol. 2021. PMID: 33767382 Free PMC article.
Machine Learning Uncovers Food- and Excipient-Drug Interactions.
Reker D, Shi Y, Kirtane AR, Hess K, Zhong GJ, Crane E, Lin CH, Langer R, Traverso G. Reker D, et al. Cell Rep. 2020 Mar 17;30(11):3710-3716.e4. doi: 10.1016/j.celrep.2020.02.094. Cell Rep. 2020. PMID: 32187543 Free PMC article.
Counting on natural products for drug design.
Rodrigues T, Reker D, Schneider P, Schneider G. Rodrigues T, et al. Among authors: reker d. Nat Chem. 2016 Jun;8(6):531-41. doi: 10.1038/nchem.2479. Epub 2016 Apr 25. Nat Chem. 2016. PMID: 27219696 Review.
113 results