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Page 1
Alarms about structural alerts.
Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz'min V, Fourches D, Tropsha A. Alves V, et al. Among authors: zakharov av. Green Chem. 2016 Aug 21;18(16):4348-4360. doi: 10.1039/C6GC01492E. Epub 2016 Jun 28. Green Chem. 2016. PMID: 28503093 Free PMC article.
QSAR Modeling and Prediction of Drug-Drug Interactions.
Zakharov AV, Varlamova EV, Lagunin AA, Dmitriev AV, Muratov EN, Fourches D, Kuz'min VE, Poroikov VV, Tropsha A, Nicklaus MC. Zakharov AV, et al. Mol Pharm. 2016 Feb 1;13(2):545-56. doi: 10.1021/acs.molpharmaceut.5b00762. Epub 2016 Jan 5. Mol Pharm. 2016. PMID: 26669717
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS. Mansouri K, et al. Environ Health Perspect. 2016 Jul;124(7):1023-33. doi: 10.1289/ehp.1510267. Epub 2016 Feb 23. Environ Health Perspect. 2016. PMID: 26908244 Free PMC article.
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen.
Menden MP, Wang D, Mason MJ, Szalai B, Bulusu KC, Guan Y, Yu T, Kang J, Jeon M, Wolfinger R, Nguyen T, Zaslavskiy M; AstraZeneca-Sanger Drug Combination DREAM Consortium; Jang IS, Ghazoui Z, Ahsen ME, Vogel R, Neto EC, Norman T, Tang EKY, Garnett MJ, Veroli GYD, Fawell S, Stolovitzky G, Guinney J, Dry JR, Saez-Rodriguez J. Menden MP, et al. Nat Commun. 2019 Jun 17;10(1):2674. doi: 10.1038/s41467-019-09799-2. Nat Commun. 2019. PMID: 31209238 Free PMC article.
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatarai B, Boyer S, Chen J, Consonni V, Farag S, Fourches D, García-Sosa AT, Gramatica P, Grisoni F, Grulke CM, Hong H, Horvath D, Hu X, Huang R, Jeliazkova N, Li J, Li X, Liu H, Manganelli S, Mangiatordi GF, Maran U, Marcou G, Martin T, Muratov E, Nguyen DT, Nicolotti O, Nikolov NG, Norinder U, Papa E, Petitjean M, Piir G, Pogodin P, Poroikov V, Qiao X, Richard AM, Roncaglioni A, Ruiz P, Rupakheti C, Sakkiah S, Sangion A, Schramm KW, Selvaraj C, Shah I, Sild S, Sun L, Taboureau O, Tang Y, Tetko IV, Todeschini R, Tong W, Trisciuzzi D, Tropsha A, Van Den Driessche G, Varnek A, Wang Z, Wedebye EB, Williams AJ, Xie H, Zakharov AV, Zheng Z, Judson RS. Mansouri K, et al. Among authors: zakharov av. Environ Health Perspect. 2020 Feb;128(2):27002. doi: 10.1289/EHP5580. Epub 2020 Feb 7. Environ Health Perspect. 2020. PMID: 32074470 Free PMC article.
Discovery of Synergistic and Antagonistic Drug Combinations against SARS-CoV-2 In Vitro.
Bobrowski T, Chen L, Eastman RT, Itkin Z, Shinn P, Chen C, Guo H, Zheng W, Michael S, Simeonov A, Hall MD, Zakharov AV, Muratov EN. Bobrowski T, et al. Among authors: zakharov av. bioRxiv [Preprint]. 2020 Jun 30:2020.06.29.178889. doi: 10.1101/2020.06.29.178889. bioRxiv. 2020. PMID: 32637956 Free PMC article. Updated. Preprint.
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
Alves VM, Capuzzi SJ, Braga RC, Korn D, Hochuli JE, Bowler KH, Yasgar A, Rai G, Simeonov A, Muratov EN, Zakharov AV, Tropsha A. Alves VM, et al. Among authors: zakharov av. J Chem Inf Model. 2020 Aug 24;60(8):4056-4063. doi: 10.1021/acs.jcim.0c00415. Epub 2020 Aug 2. J Chem Inf Model. 2020. PMID: 32678597
Synergistic and Antagonistic Drug Combinations against SARS-CoV-2.
Bobrowski T, Chen L, Eastman RT, Itkin Z, Shinn P, Chen CZ, Guo H, Zheng W, Michael S, Simeonov A, Hall MD, Zakharov AV, Muratov EN. Bobrowski T, et al. Among authors: zakharov av. Mol Ther. 2021 Feb 3;29(2):873-885. doi: 10.1016/j.ymthe.2020.12.016. Epub 2020 Dec 15. Mol Ther. 2021. PMID: 33333292 Free PMC article.
194 results