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High Accuracy Prediction of PROTAC Complex Structures.
Ignatov M, Jindal A, Kotelnikov S, Beglov D, Posternak G, Tang X, Maisonneuve P, Poda G, Batey RA, Sicheri F, Whitty A, Tonge PJ, Vajda S, Kozakov D. Ignatov M, et al. Among authors: poda g. J Am Chem Soc. 2023 Apr 5;145(13):7123-7135. doi: 10.1021/jacs.2c09387. Epub 2023 Mar 24. J Am Chem Soc. 2023. PMID: 36961978 Free PMC article.
Molecular modeling of opioid receptor-ligand complexes.
McFadyen I, Metzger T, Subramanian G, Poda G, Jorvig E, Ferguson DM. McFadyen I, et al. Among authors: poda g. Prog Med Chem. 2002;40:107-35. doi: 10.1016/s0079-6468(08)70083-3. Prog Med Chem. 2002. PMID: 12516524 Review. No abstract available.
Functional characterization of a PROTAC directed against BRAF mutant V600E.
Posternak G, Tang X, Maisonneuve P, Jin T, Lavoie H, Daou S, Orlicky S, Goullet de Rugy T, Caldwell L, Chan K, Aman A, Prakesch M, Poda G, Mader P, Wong C, Maier S, Kitaygorodsky J, Larsen B, Colwill K, Yin Z, Ceccarelli DF, Batey RA, Taipale M, Kurinov I, Uehling D, Wrana J, Durocher D, Gingras AC, Al-Awar R, Therrien M, Sicheri F. Posternak G, et al. Among authors: poda g. Nat Chem Biol. 2020 Nov;16(11):1170-1178. doi: 10.1038/s41589-020-0609-7. Epub 2020 Aug 10. Nat Chem Biol. 2020. PMID: 32778845 Free PMC article.
Accurate ligand-protein docking in CASP15 using the ClusPro LigTBM server.
Kotelnikov S, Ashizawa R, Popov KI, Khan O, Ignatov M, Li SX, Hassan M, Coutsias EA, Poda G, Padhorny D, Tropsha A, Vajda S, Kozakov D. Kotelnikov S, et al. Among authors: poda g. Proteins. 2023 Dec;91(12):1822-1828. doi: 10.1002/prot.26587. Epub 2023 Sep 11. Proteins. 2023. PMID: 37697630
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing.
Kovalishyn V, Grouleff J, Semenyuta I, Sinenko VO, Slivchuk SR, Hodyna D, Brovarets V, Blagodatny V, Poda G, Tetko IV, Metelytsia L. Kovalishyn V, et al. Among authors: poda g. Chem Biol Drug Des. 2018 Jul;92(1):1272-1278. doi: 10.1111/cbdd.13188. Epub 2018 May 6. Chem Biol Drug Des. 2018. PMID: 29536635
A drug discovery platform to identify compounds that inhibit EGFR triple mutants.
Saraon P, Snider J, Kalaidzidis Y, Wybenga-Groot LE, Weiss K, Rai A, Radulovich N, Drecun L, Vučković N, Vučetić A, Wong V, Thériault B, Pham NA, Park JH, Datti A, Wang J, Pathmanathan S, Aboualizadeh F, Lyakisheva A, Yao Z, Wang Y, Joseph B, Aman A, Moran MF, Prakesch M, Poda G, Marcellus R, Uehling D, Samaržija M, Jakopović M, Tsao MS, Shepherd FA, Sacher A, Leighl N, Akhmanova A, Al-Awar R, Zerial M, Stagljar I. Saraon P, et al. Among authors: poda g. Nat Chem Biol. 2020 May;16(5):577-586. doi: 10.1038/s41589-020-0484-2. Epub 2020 Feb 24. Nat Chem Biol. 2020. PMID: 32094923 Free PMC article.
In silico ligand-based modeling of hBACE-1 inhibitors.
Subramanian G, Poda G. Subramanian G, et al. Among authors: poda g. Chem Biol Drug Des. 2018 Mar;91(3):817-827. doi: 10.1111/cbdd.13147. Epub 2017 Dec 10. Chem Biol Drug Des. 2018. PMID: 29139199
Discovery of Nanomolar DCAF1 Small Molecule Ligands.
Li ASM, Kimani S, Wilson B, Noureldin M, González-Álvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, Guié MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M. Li ASM, et al. Among authors: poda g. J Med Chem. 2023 Apr 13;66(7):5041-5060. doi: 10.1021/acs.jmedchem.2c02132. Epub 2023 Mar 22. J Med Chem. 2023. PMID: 36948210 Free PMC article.
94 results