Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
7 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J Med Chem. 2022 Dec 8;65(23):15663-15678. doi: 10.1021/acs.jmedchem.2c00813. Epub 2022 Sep 7.
J Med Chem. 2022.
PMID: 36069712
A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.
Gorgulla C, Padmanabha Das KM, Leigh KE, Cespugli M, Fischer PD, Wang ZF, Tesseyre G, Pandita S, Shnapir A, Calderaio A, Gechev M, Rose A, Lewis N, Hutcheson C, Yaffe E, Luxenburg R, Herce HD, Durmaz V, Halazonetis TD, Fackeldey K, Patten JJ, Chuprina A, Dziuba I, Plekhova A, Moroz Y, Radchenko D, Tarkhanova O, Yavnyuk I, Gruber C, Yust R, Payne D, Näär AM, Namchuk MN, Davey RA, Wagner G, Kinney J, Arthanari H.
Gorgulla C, et al. Among authors: tarkhanova o.
ChemRxiv [Preprint]. 2020 Jul 24. doi: 10.26434/chemrxiv.12682316.
ChemRxiv. 2020.
PMID: 33200116
Free PMC article.
Updated.
Preprint.
Item in Clipboard
A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening.
Gorgulla C, Padmanabha Das KM, Leigh KE, Cespugli M, Fischer PD, Wang ZF, Tesseyre G, Pandita S, Shnapir A, Calderaio A, Gechev M, Rose A, Lewis N, Hutcheson C, Yaffe E, Luxenburg R, Herce HD, Durmaz V, Halazonetis TD, Fackeldey K, Patten JJ, Chuprina A, Dziuba I, Plekhova A, Moroz Y, Radchenko D, Tarkhanova O, Yavnyuk I, Gruber C, Yust R, Payne D, Näär AM, Namchuk MN, Davey RA, Wagner G, Kinney J, Arthanari H.
Gorgulla C, et al. Among authors: tarkhanova o.
iScience. 2021 Feb 19;24(2):102021. doi: 10.1016/j.isci.2020.102021. Epub 2021 Jan 5.
iScience. 2021.
PMID: 33426509
Free PMC article.
Item in Clipboard
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
Meeks KR, Ji J, Protopopov MV, Tarkhanova OO, Moroz YS, Tanner JJ.
Meeks KR, et al. Among authors: tarkhanova oo.
J Chem Inf Model. 2024 Mar 11;64(5):1704-1718. doi: 10.1021/acs.jcim.3c01879. Epub 2024 Feb 27.
J Chem Inf Model. 2024.
PMID: 38411104
Item in Clipboard
Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor.
Liu F, Wu CG, Tu CL, Glenn I, Meyerowitz J, Levit Kaplan A, Lyu J, Cheng Z, Tarkhanova OO, Moroz YS, Irwin JJ, Chang W, Shoichet BK, Skiniotis G.
Liu F, et al. Among authors: tarkhanova oo.
bioRxiv [Preprint]. 2024 Mar 6:2023.12.27.573448. doi: 10.1101/2023.12.27.573448.
bioRxiv. 2024.
PMID: 38234749
Free PMC article.
Preprint.
Item in Clipboard
AlphaFold2 structures template ligand discovery.
Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Álvarez X, Sakamoto K, Kim Y, DiBerto J, Kim K, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL.
Lyu J, et al. Among authors: tarkhanova oo.
bioRxiv [Preprint]. 2024 Mar 13:2023.12.20.572662. doi: 10.1101/2023.12.20.572662.
bioRxiv. 2024.
PMID: 38187536
Free PMC article.
Preprint.
Item in Clipboard
AI-Powered Virtual Screening of Large Compound Libraries Leads to the Discovery of Novel Inhibitors of Sirtuin-1.
Gryniukova A, Kaiser F, Myziuk I, Alieksieieva D, Leberecht C, Heym PP, Tarkhanova OO, Moroz YS, Borysko P, Haupt VJ.
Gryniukova A, et al. Among authors: tarkhanova oo.
J Med Chem. 2023 Aug 10;66(15):10241-10251. doi: 10.1021/acs.jmedchem.3c00128. Epub 2023 Jul 27.
J Med Chem. 2023.
PMID: 37499195
Item in Clipboard
Cite
Cite