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AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor.
Ren F, Ding X, Zheng M, Korzinkin M, Cai X, Zhu W, Mantsyzov A, Aliper A, Aladinskiy V, Cao Z, Kong S, Long X, Man Liu BH, Liu Y, Naumov V, Shneyderman A, Ozerov IV, Wang J, Pun FW, Polykovskiy DA, Sun C, Levitt M, Aspuru-Guzik A, Zhavoronkov A. Ren F, et al. Among authors: levitt m. Chem Sci. 2023 Jan 10;14(6):1443-1452. doi: 10.1039/d2sc05709c. eCollection 2023 Feb 8. Chem Sci. 2023. PMID: 36794205 Free PMC article.
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.
Illarionov A, Sakipov S, Pereyaslavets L, Kurnikov IV, Kamath G, Butin O, Voronina E, Ivahnenko I, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Cherniavskyi YK, Lock C, Greenslade S, Sankaranarayanan SK, Kurnikova MG, Potoff J, Kornberg RD, Levitt M, Fain B. Illarionov A, et al. Among authors: levitt m. J Am Chem Soc. 2023 Nov 1;145(43):23620-23629. doi: 10.1021/jacs.3c07628. Epub 2023 Oct 19. J Am Chem Soc. 2023. PMID: 37856313 Free PMC article.
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.
Kurnikov IV, Pereyaslavets L, Kamath G, Sakipov SN, Voronina E, Butin O, Illarionov A, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Ivahnenko I, Chen Y, Lock CB, Levitt M, Kornberg RD, Fain B. Kurnikov IV, et al. Among authors: levitt m. J Chem Theory Comput. 2024 Feb 13;20(3):1347-1357. doi: 10.1021/acs.jctc.3c00921. Epub 2024 Jan 19. J Chem Theory Comput. 2024. PMID: 38240485 Free PMC article.
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field.
Nawrocki G, Leontyev I, Sakipov S, Darkhovskiy M, Kurnikov I, Pereyaslavets L, Kamath G, Voronina E, Butin O, Illarionov A, Olevanov M, Kostikov A, Ivahnenko I, Patel DS, Sankaranarayanan SKRS, Kurnikova MG, Lock C, Crooks GE, Levitt M, Kornberg RD, Fain B. Nawrocki G, et al. Among authors: levitt m. J Chem Theory Comput. 2022 Dec 13;18(12):7751-7763. doi: 10.1021/acs.jctc.2c00930. Epub 2022 Dec 2. J Chem Theory Comput. 2022. PMID: 36459593 Free PMC article.
Impact of Race on Outcomes in the Endovascular and Microsurgical Treatment in Patients With Intracranial Aneurysms.
Matsukawa H, Uchida K, Sowlat MM, Elawady SS, Cunningham C, Alawieh A, Al Kasab S, Jabbour P, Mascitelli J, Levitt MR, Cuellar H, Brinjikji W, Samaniego E, Burkhardt JK, Kan P, Fox WC, Moss M, Ezzeldin M, Grandhi R, Altschul DJ, Spiotta AM, Yoshimura S; STAR Registry Investigators. Matsukawa H, et al. Among authors: levitt mr. Neurosurgery. 2024 Apr 23. doi: 10.1227/neu.0000000000002946. Online ahead of print. Neurosurgery. 2024. PMID: 38651917
Squeezing formaldehyde into C60 fullerene.
Vyas VK, Bacanu GR, Soundararajan M, Marsden ES, Jafari T, Shugai A, Light ME, Nagel U, Rõõm T, Levitt MH, Whitby RJ. Vyas VK, et al. Among authors: levitt mh. Nat Commun. 2024 Mar 21;15(1):2515. doi: 10.1038/s41467-024-46886-5. Nat Commun. 2024. PMID: 38514674 Free PMC article.
Impact of Procedure Time on First Pass Effect in Mechanical Thrombectomy for Anterior Circulation Acute Ischemic Stroke.
Koo AB, Reeves BC, Renedo D, Maier IL, Al Kasab S, Jabbour P, Kim JT, Wolfe SQ, Rai A, Starke RM, Psychogios MN, Shaban A, Arthur A, Yoshimura S, Cuellar H, Grossberg JA, Alawieh A, Romano DG, Tanweer O, Mascitelli J, Fragata I, Polifka A, Osbun J, Crosa R, Park MS, Levitt MR, Brinjikji W, Moss M, Dumont T, Williamson R Jr, Navia P, Kan P, Spiotta AM, Sheth KN, de Havenon A, Matouk CC. Koo AB, et al. Among authors: levitt mr. Neurosurgery. 2024 Mar 14. doi: 10.1227/neu.0000000000002900. Online ahead of print. Neurosurgery. 2024. PMID: 38483158
The Influence of Coagulopathy on Radiographic and Clinical Outcomes in Patients Undergoing Middle Meningeal Artery Embolization as Standalone Treatment for Non-acute Subdural Hematomas.
Salah WK, Findlay MC, Baker CM, Scoville JP, Bounajem MT, Ogilvy CS, Moore JM, Riina HA, Levy EI, Siddiqui AH, Spiotta AM, Cawley CM, Khalessi AA, Tanweer O, Hanel R, Gross BA, Kuybu O, Howard BM, Hoang AN, Baig AA, Khorasanizadeh M, Mendez Ruiz AA, Cortez G, Davies JM, Lang MJ, Thomas AJ, Tonetti DA, Khalife J, Sioutas GS, Carroll K, Abecassis ZA, Jankowitz BT, Ruiz Rodriguez J, Levitt MR, Kan PT, Burkhardt JK, Srinivasan V, Salem MM, Grandhi R. Salah WK, et al. Among authors: levitt mr. J Neurotrauma. 2024 Apr 9. doi: 10.1089/neu.2023.0413. Online ahead of print. J Neurotrauma. 2024. PMID: 38481125
Combined Antitumor Effect of the Serine Protease Urokinase Inhibitor Upamostat and the Sphingosine Kinase 2 Inhibitor Opaganib on Cholangiocarcinoma Patient-Derived Xenografts.
Asumda FZ, Campbell NA, Hassan MA, Fathi R, Vasquez Rico DF, Kiem M, Vang EV, Kim YH, Luo X, O'Brien DR, Buhrow SA, Reid JM, Moore MJ, Ben-Yair VK, Levitt ML, Leiting JL, Abdelrahman AM, Zhu X, Lucien F, Truty MJ, Roberts LR. Asumda FZ, et al. Among authors: levitt ml. Cancers (Basel). 2024 Mar 5;16(5):1050. doi: 10.3390/cancers16051050. Cancers (Basel). 2024. PMID: 38473407 Free PMC article.
1,700 results