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2006 1
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Page 1
A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann… See abstract for full author list ➔ Schimunek J, et al. Among authors: roy a. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243
Analysis of Multidomain Protein Dynamics.
Roy A, Hua DP, Post CB. Roy A, et al. J Chem Theory Comput. 2016 Jan 12;12(1):274-80. doi: 10.1021/acs.jctc.5b00796. Epub 2015 Dec 17. J Chem Theory Comput. 2016. PMID: 26675644 Free PMC article.
Modeling disordered protein interactions from biophysical principles.
Peterson LX, Roy A, Christoffer C, Terashi G, Kihara D. Peterson LX, et al. Among authors: roy a. PLoS Comput Biol. 2017 Apr 10;13(4):e1005485. doi: 10.1371/journal.pcbi.1005485. eCollection 2017 Apr. PLoS Comput Biol. 2017. PMID: 28394890 Free PMC article.
Modeling the assembly order of multimeric heteroprotein complexes.
Peterson LX, Togawa Y, Esquivel-Rodriguez J, Terashi G, Christoffer C, Roy A, Shin WH, Kihara D. Peterson LX, et al. Among authors: roy a. PLoS Comput Biol. 2018 Jan 12;14(1):e1005937. doi: 10.1371/journal.pcbi.1005937. eCollection 2018 Jan. PLoS Comput Biol. 2018. PMID: 29329283 Free PMC article.
56 results