Fiona Kearns

Title(s)Postdoctoral Scholar, Chemistry and Biochemistry
SchoolVc-academic Affairs
Address9500 Gilman Drive #
La Jolla CA 92093
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.
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    Altmetrics Details PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme. J Nat Prod. 2022 05 27; 85(5):1315-1323. Avalon NE, Nafie J, De Marco Verissimo C, Warrensford LC, Dietrick SG, Pittman AR, Young RM, Kearns FL, Smalley T, Binning JM, Dalton JP, Johnson MP, Woodcock HL, Allcock AL, Baker BJ. PMID: 35549259; PMCID: PMC9127705.
      View in: PubMed   Mentions:    Fields:    Translation:AnimalsCells
    2. Optimizing the Calculation of Free Energy Differences in Nonequilibrium Work SQM/MM Switching Simulations. J Phys Chem B. 2022 04 21; 126(15):2798-2811. Schöller A, Kearns F, Woodcock HL, Boresch S. PMID: 35404610; PMCID: PMC9036525.
      View in: PubMed   Mentions:    Fields:    Translation:Cells
    3. Targeted protein S-nitrosylation of ACE2 as potential treatment to prevent spread of SARS-CoV-2 infection. bioRxiv. 2022 Apr 05. 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. PMID: 35411336; PMCID: PMC8996617.
      View in: PubMed   Mentions:
    4. Not Drug-like, but Like Drugs: Cnidaria Natural Products. Mar Drugs. 2021 Dec 30; 20(1). Laguionie-Marchais C, Allcock AL, Baker BJ, Conneely EA, Dietrick SG, Kearns F, McKeever K, Young RM, Sierra CA, Soldatou S, Woodcock HL, Johnson MP. PMID: 35049897; PMCID: PMC8779300.
      View in: PubMed   Mentions:    Fields:    Translation:Animals
    5. GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses. ACS Cent Sci. 2022 Jan 26; 8(1):22-42. Kim SH, Kearns FL, Rosenfeld MA, Casalino L, Papanikolas MJ, Simmerling C, Amaro RE, Freeman R. PMID: 35106370; PMCID: PMC8796303.
      View in: PubMed   Mentions: 1  
    6. #COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. bioRxiv. 2021 Nov 15. 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, Jha S, Ramanathan A, Chong L, Amaro R. PMID: 34816263; PMCID: PMC8609898.
      View in: PubMed   Mentions:
    7. CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol. J Comput Chem. 2022 01 15; 43(2):84-95. Vankayala SL, Warrensford LC, Pittman AR, Pollard BC, Kearns FL, Larkin JD, Woodcock HL. PMID: 34741467.
      View in: PubMed   Mentions: 1     Fields:    
    8. A glycan gate controls opening of the SARS-CoV-2 spike protein. Nat Chem. 2021 10; 13(10):963-968. Sztain T, Ahn SH, Bogetti AT, Casalino L, Goldsmith JA, Seitz E, McCool RS, Kearns FL, Acosta-Reyes F, Maji S, Mashayekhi G, McCammon JA, Ourmazd A, Frank J, McLellan JS, Chong LT, Amaro RE. PMID: 34413500; PMCID: PMC8488004.
      View in: PubMed   Mentions: 56     Fields:    Translation:HumansCells
    9. A glycan gate controls opening of the SARS-CoV-2 spike protein. bioRxiv. 2021 May 17. Sztain T, Ahn SH, Bogetti AT, Casalino L, Goldsmith JA, Seitz E, McCool RS, Kearns FL, Acosta-Reyes F, Maji S, Mashayekhi G, McCammon JA, Ourmazd A, Frank J, McLellan JS, Chong LT, Amaro RE. PMID: 33619492; PMCID: PMC7899456.
      View in: PubMed   Mentions:
    10. Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc Natl Acad Sci U S A. 2020 10 13; 117(41):25476-25485. Knott BC, Erickson E, Allen MD, Gado JE, Graham R, Kearns FL, Pardo I, Topuzlu E, Anderson JJ, Austin HP, Dominick G, Johnson CW, Rorrer NA, Szostkiewicz CJ, Copié V, Payne CM, Woodcock HL, Donohoe BS, Beckham GT, McGeehan JE. PMID: 32989159; PMCID: PMC7568301.
      View in: PubMed   Mentions: 32     Fields:    Translation:Cells
    11. Natural protection of ocular surface from viral infections - A hypothesis. Med Hypotheses. 2020 Oct; 143:110082. Zimmerman K, Kearns F, Tzekov R. PMID: 32679424; PMCID: PMC7346787.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansCellsPHPublic Health
    12. Mechanism of proton transfer in class A β-lactamase catalysis and inhibition by avibactam. Proc Natl Acad Sci U S A. 2020 03 17; 117(11):5818-5825. Pemberton OA, Noor RE, Kumar M V V, Sanishvili R, Kemp MT, Kearns FL, Woodcock HL, Gelis I, Chen Y. PMID: 32123084; PMCID: PMC7084157.
      View in: PubMed   Mentions: 12     Fields:    Translation:Cells
    13. Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid. J Chem Inf Model. 2019 05 28; 59(5):2150-2158. Kearns FL, Robart C, Kemp MT, Vankayala SL, Chapin BM, Anslyn EV, Woodcock HL, Larkin JD. PMID: 30908030; PMCID: PMC8577280.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    14. The Good, the Bad, and the Ugly: "HiPen", a New Dataset for Validating (S)QM/MM Free Energy Simulations. Molecules. 2019 Feb 14; 24(4). Kearns FL, Warrensford L, Boresch S, Woodcock HL. PMID: 30769826; PMCID: PMC6413162.
      View in: PubMed   Mentions: 6     Fields:    
    15. Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc Natl Acad Sci U S A. 2018 05 08; 115(19):E4350-E4357. Austin HP, Allen MD, Donohoe BS, Rorrer NA, Kearns FL, Silveira RL, Pollard BC, Dominick G, Duman R, El Omari K, Mykhaylyk V, Wagner A, Michener WE, Amore A, Skaf MS, Crowley MF, Thorne AW, Johnson CW, Woodcock HL, McGeehan JE, Beckham GT. PMID: 29666242; PMCID: PMC5948967.
      View in: PubMed   Mentions: 98     Fields:    Translation:Cells
    16. Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities. J Comput Chem. 2017 06 15; 38(16):1376-1388. Kearns FL, Hudson PS, Woodcock HL, Boresch S. PMID: 28272811.
      View in: PubMed   Mentions: 13     Fields:    
    17. Elucidating a chemical defense mechanism of Antarctic sponges: A computational study. J Mol Graph Model. 2017 01; 71:104-115. Vankayala SL, Kearns FL, Baker BJ, Larkin JD, Lee Woodcock H. PMID: 27894019.
      View in: PubMed   Mentions: 1     Fields:    Translation:AnimalsCells
    18. Identification of Ecdysone Hormone Receptor Agonists as a Therapeutic Approach for Treating Filarial Infections. PLoS Negl Trop Dis. 2016 06; 10(6):e0004772. Mhashilkar AS, Vankayala SL, Liu C, Kearns F, Mehrotra P, Tzertzinis G, Palli SR, Woodcock HL, Unnasch TR. PMID: 27300294; PMCID: PMC4907521.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansAnimalsCells
    19. Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes. Biochim Biophys Acta. 2015 May; 1850(5):944-953. Hudson PS, White JK, Kearns FL, Hodoscek M, Boresch S, Lee Woodcock H. PMID: 25239198.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
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