Virtual discovery of melatonin receptor ligands to modulate circadian rhythms
Stein, Reed M., Kang, Hye Jin, McCorvy, John D., Glatfelter, Grant C., Jones, Anthony J., Che, Tao, Slocum, Samuel, Huang, Xi-Ping, Savych, Olena, Moroz, Yurii S., Stauch, Benjamin, Johansson, Linda C., Cherezov, Vadim, Kenakin, Terry, Irwin, John J., Shoichet, Brian K., Roth, Bryan L., Dubocovich, Margarita L.
Published in Nature (London) (01.03.2020)
Published in Nature (London) (01.03.2020)
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Journal Article
A practical guide to large-scale docking
Bender, Brian J., Gahbauer, Stefan, Luttens, Andreas, Lyu, Jiankun, Webb, Chase M., Stein, Reed M., Fink, Elissa A., Balius, Trent E., Carlsson, Jens, Irwin, John J., Shoichet, Brian K.
Published in Nature protocols (01.10.2021)
Published in Nature protocols (01.10.2021)
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Journal Article
Property-Unmatched Decoys in Docking Benchmarks
Stein, Reed M, Yang, Ying, Balius, Trent E, O’Meara, Matt J, Lyu, Jiankun, Young, Jennifer, Tang, Khanh, Shoichet, Brian K, Irwin, John J
Published in Journal of chemical information and modeling (22.02.2021)
Published in Journal of chemical information and modeling (22.02.2021)
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Journal Article
Testing inhomogeneous solvation theory in structure-based ligand discovery
Balius, Trent E., Fischer, Marcus, Stein, Reed M., Adler, Thomas B., Nguyen, Crystal N., Cruz, Anthony, Gilson, Michael K., Kurtzman, Tom, Shoichet, Brian K.
Published in Proceedings of the National Academy of Sciences - PNAS (15.08.2017)
Published in Proceedings of the National Academy of Sciences - PNAS (15.08.2017)
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Journal Article
Publisher Correction: A practical guide to large-scale docking
Bender, Brian J., Gahbauer, Stefan, Luttens, Andreas, Lyu, Jiankun, Webb, Chase M., Stein, Reed M., Fink, Elissa A., Balius, Trent E., Carlsson, Jens, Irwin, John J., Shoichet, Brian K.
Published in Nature protocols (2022)
Published in Nature protocols (2022)
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Journal Article
Large library docking for cannabinoid-1 receptor agonists with reduced side effects
Tummino, Tia A, Iliopoulos-Tsoutsouvas, Christos, Braz, Joao M, O'Brien, Evan S, Stein, Reed M, Craik, Veronica, Tran, Ngan K, Ganapathy, Suthakar, Liu, Fangyu, Shiimura, Yuki, Tong, Fei, Ho, Thanh C, Radchenko, Dmytro S, Moroz, Yurii S, Rosado, Sian Rodriguez, Bhardwaj, Karnika, Benitez, Jorge, Liu, Yongfeng, Kandasamy, Herthana, Normand, Claire, Semache, Meriem, Sabbagh, Laurent, Glenn, Isabella, Irwin, John J, Kumar, Kaavya Krishna, Makriyannis, Alexandros, Basbaum, Allan I, Shoichet, Brian K
Published in bioRxiv (28.02.2024)
Published in bioRxiv (28.02.2024)
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Paper
MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF
KANG, Hye, Jin, STEIN, Reed, M, DUBOCOVICH, Margarita, L, GLATFELTER, Grant, C, SHOICHET, Brian, K, ROTH, Bryan, L
Year of Publication 04.10.2023
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Year of Publication 04.10.2023
Patent
MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF
Dubocovich, Margarita L, Glatfelter, Grant C, Stein, Reed M, Shoichet, Brian K, Kang, Hye Jin, Roth, Bryan L
Year of Publication 16.02.2023
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Year of Publication 16.02.2023
Patent
MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF
KANG, Hye, Jin, STEIN, Reed, M, DUBOCOVICH, Margarita, L, GLATFELTER, Grant, C, SHOICHET, Brian, K, ROTH, Bryan, L
Year of Publication 06.07.2022
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Year of Publication 06.07.2022
Patent
MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF
GLATFELTER, GRANT C, SHOICHET, BRIAN K, DUBOCOVICH, MARGARITA L, ROTH, BRYAN L, STEIN, REED M, KANG, HYE JIN
Year of Publication 04.03.2021
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Year of Publication 04.03.2021
Patent