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Targeted protein S-nitrosylation of ACE2 as potential treatment to prevent spread of SARS-CoV-2 infection.
Oh CK, Nakamura T, Beutler N, Zhang X, Piña-Crespo J, Talantova M, Ghatak S, Trudler D, Carnevale LN, McKercher SR, Bakowski MA, Diedrich JK, Roberts AJ, Woods AK, Chi V, Gupta AK, Rosenfeld MA, Kearns FL, Casalino L, Shaabani N, Liu H, Wilson IA, Amaro RE, Burton DR, Yates JR, Becker C, Rogers TF, Chatterjee AK, Lipton SA. Oh CK, et al. Among authors: kearns fl. bioRxiv [Preprint]. 2022 Apr 5:2022.04.05.487060. doi: 10.1101/2022.04.05.487060. bioRxiv. 2022. Update in: Nat Chem Biol. 2023 Mar;19(3):275-283. doi: 10.1038/s41589-022-01149-6 PMID: 35411336 Free PMC article. Updated. Preprint.
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.
Dommer A, Casalino L, Kearns F, Rosenfeld M, Wauer N, Ahn SH, Russo J, Oliveira S, Morris C, Bogetti A, Trifan A, Brace A, Sztain T, Clyde A, Ma H, Chennubhotla C, Lee H, Turilli M, Khalid S, Tamayo-Mendoza T, Welborn M, Christensen A, Smith DGA, Qiao Z, Sirumalla SK, O'Connor M, Manby F, Anandkumar A, Hardy D, Phillips J, Stern A, Romero J, Clark D, Dorrell M, Maiden T, Huang L, McCalpin J, Woods C, Gray A, Williams M, Barker B, Rajapaksha H, Pitts R, Gibbs T, Stone J, Zuckerman D, Mulholland A, Miller T 3rd, Jha S, Ramanathan A, Chong L, Amaro R. Dommer A, et al. bioRxiv [Preprint]. 2021 Nov 15:2021.11.12.468428. doi: 10.1101/2021.11.12.468428. bioRxiv. 2021. Update in: Int J High Perform Comput Appl. 2023 Jan;37(1):28-44. doi: 10.1177/10943420221128233 PMID: 34816263 Free PMC article. Updated. Preprint.
Transmissible SARS-CoV-2 variants with resistance to clinical protease inhibitors.
Moghadasi SA, Heilmann E, Khalil AM, Nnabuife C, Kearns FL, Ye C, Moraes SN, Costacurta F, Esler MA, Aihara H, von Laer D, Martinez-Sobrido L, Palzkill T, Amaro RE, Harris RS. Moghadasi SA, et al. Among authors: kearns fl. bioRxiv [Preprint]. 2022 Dec 26:2022.08.07.503099. doi: 10.1101/2022.08.07.503099. bioRxiv. 2022. Update in: Sci Adv. 2023 Mar 29;9(13):eade8778. doi: 10.1126/sciadv.ade8778 PMID: 35982678 Free PMC article. Updated. Preprint.
Glycoproteomic landscape and structural dynamics of TIM family immune checkpoints enabled by mucinase SmE.
Chongsaritsinsuk J, Steigmeyer AD, Mahoney KE, Rosenfeld MA, Lucas TM, Ince D, Kearns FL, Battison AS, Hollenhorst MA, Shon DJ, Tiemeyer KH, Attah V, Kwon C, Bertozzi CR, Ferracane MJ, Amaro RE, Malaker SA. Chongsaritsinsuk J, et al. Among authors: kearns fl. bioRxiv [Preprint]. 2023 Feb 3:2023.02.01.526488. doi: 10.1101/2023.02.01.526488. bioRxiv. 2023. Update in: Nat Commun. 2023 Oct 4;14(1):6169. doi: 10.1038/s41467-023-41756-y PMID: 36778266 Free PMC article. Updated. Preprint.
Distinct pathway for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses.
Tse AL, Acreman CM, Ricardo-Lax I, Berrigan J, Lasso G, Balogun T, Kearns FL, Casalino L, McClain GL, Chandran AM, Lemeunier C, Amaro RE, Rice CM, Jangra RK, McLellan JS, Chandran K, Miller EH. Tse AL, et al. Among authors: kearns fl. bioRxiv [Preprint]. 2024 Jul 13:2024.06.24.600393. doi: 10.1101/2024.06.24.600393. bioRxiv. 2024. Update in: PLoS Pathog. 2024 Nov 15;20(11):e1012704. doi: 10.1371/journal.ppat.1012704 PMID: 38979151 Free PMC article. Updated. Preprint.
Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens.
Nuqui X, Casalino L, Zhou L, Shehata M, Wang A, Tse AL, Ojha AA, Kearns FL, Rosenfeld MA, Miller EH, Acreman CM, Ahn SH, Chandran K, McLellan JS, Amaro RE. Nuqui X, et al. Among authors: kearns fl. Nat Commun. 2024 Aug 27;15(1):7370. doi: 10.1038/s41467-024-50976-9. Nat Commun. 2024. PMID: 39191724 Free PMC article.
Distinct pathways for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses.
Tse AL, Acreman CM, Ricardo-Lax I, Berrigan J, Lasso G, Balogun T, Kearns FL, Casalino L, McClain GL, Chandran AM, Lemeunier C, Amaro RE, Rice CM, Jangra RK, McLellan JS, Chandran K, Miller EH. Tse AL, et al. Among authors: kearns fl. PLoS Pathog. 2024 Nov 15;20(11):e1012704. doi: 10.1371/journal.ppat.1012704. eCollection 2024 Nov. PLoS Pathog. 2024. PMID: 39546542 Free PMC article.
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.
Hwang W, Austin SL, Blondel A, Boittier ED, Boresch S, Buck M, Buckner J, Caflisch A, Chang HT, Cheng X, Choi YK, Chu JW, Crowley MF, Cui Q, Damjanovic A, Deng Y, Devereux M, Ding X, Feig MF, Gao J, Glowacki DR, Gonzales JE 2nd, Hamaneh MB, Harder ED, Hayes RL, Huang J, Huang Y, Hudson PS, Im W, Islam SM, Jiang W, Jones MR, Käser S, Kearns FL, Kern NR, Klauda JB, Lazaridis T, Lee J, Lemkul JA, Liu X, Luo Y, MacKerell AD Jr, Major DT, Meuwly M, Nam K, Nilsson L, Ovchinnikov V, Paci E, Park S, Pastor RW, Pittman AR, Post CB, Prasad S, Pu J, Qi Y, Rathinavelan T, Roe DR, Roux B, Rowley CN, Shen J, Simmonett AC, Sodt AJ, Töpfer K, Upadhyay M, van der Vaart A, Vazquez-Salazar LI, Venable RM, Warrensford LC, Woodcock HL, Wu Y, Brooks CL 3rd, Brooks BR, Karplus M. Hwang W, et al. Among authors: kearns fl. J Phys Chem B. 2024 Oct 17;128(41):9976-10042. doi: 10.1021/acs.jpcb.4c04100. Epub 2024 Sep 20. J Phys Chem B. 2024. PMID: 39303207 Free PMC article. Review.
29 results