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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
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.
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
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 OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Mamai A, Chau AM, Wilson BJ, Watson ID, Joseph BB, Subramanian PR, Morshed MM, Morin JA, Prakesch MA, Lu T, Connolly P, Kuntz DA, Pomroy NC, Poda G, Nguyen K, Marcellus R, Strathdee G, Theriault B, Subramaniam R, Mohammed M, Abibi A, Chan M, Winston J, Kiyota T, Undzys E, Aman A, Austin N, Du Jardin M, Packman K, Phillippar U, Attar R, Edwards J, O'Meara J, Uehling DE, Al-Awar R, Privé GG, Isaac MB. Mamai A, et al. Among authors: poda g. ACS Med Chem Lett. 2023 Jan 12;14(2):199-210. doi: 10.1021/acsmedchemlett.2c00502. eCollection 2023 Feb 9. ACS Med Chem Lett. 2023. PMID: 36793435 Free PMC article.
Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9.
Christott T, Bennett J, Coxon C, Monteiro O, Giroud C, Beke V, Felce SL, Gamble V, Gileadi C, Poda G, Al-Awar R, Farnie G, Fedorov O. Christott T, et al. Among authors: poda g. SLAS Discov. 2019 Feb;24(2):133-141. doi: 10.1177/2472555218809904. Epub 2018 Oct 25. SLAS Discov. 2019. PMID: 30359161 Free article.
94 results