Adrian J Mulholland

InstitutionUniversity of Bristol
AddressUnited Kingdom
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    Publication Timeline
    COVID-19 publications
    Bar chart showing 9 Covid-19 publications, with a maximum of 2 publications in Spetember 2020 and November 2020 and February 2021
    All Publications
    Bar chart showing 130 publications over 20 distinct years, with a maximum of 12 publications in 2018
    These graphs show COVID-19 publications by month since August 2019 and all publications written by authors of COVID-19 publications over the past 30 years.

    To see the data from both graphs as text, click here.
    Publication Field Summary
    This graph shows the number and percent of publications by field. Fields are based on how the National Library of Medicine (NLM) classifies the publications' journals and might not represent the specific topics of the publications. Note that an individual publication can be assigned to more than one field. As a result, the publication counts in this graph might add up to more than the number of publications the person has written. To see the data as text, click here.
    Publication List
    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications.
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    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. Shoemark DK, Colenso CK, Toelzer C, Gupta K, Sessions RB, Davidson AD, Berger I, Schaffitzel C, Spencer J, Mulholland AJ. Frontispiz: Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein. Angew Chem Weinheim Bergstr Ger. 2021 Mar 22; 133(13). PMID: 34230706.
      Citations: 3     
    2. Shoemark DK, Colenso CK, Toelzer C, Gupta K, Sessions RB, Davidson AD, Berger I, Schaffitzel C, Spencer J, Mulholland AJ. Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein*. Angew Chem Int Ed Engl. 2021 03 22; 60(13):7098-7110. PMID: 33469977.
      Citations: 16     Fields:    Translation:HumansCells
    3. Oliveira ASF, Ibarra AA, Bermudez I, Casalino L, Gaieb Z, Shoemark DK, Gallagher T, Sessions RB, Amaro RE, Mulholland AJ. A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors. Biophys J. 2021 03 16; 120(6):983-993. PMID: 33609494.
      Citations: 7     Fields:    Translation:HumansCells
    4. Mulholland AJ, Amaro RE. COVID19 - Computational Chemists Meet the Moment. J Chem Inf Model. 2020 12 28; 60(12):5724-5726. PMID: 33378852.
      Citations: 4     Fields:    Translation:Humans
    5. Arafet K, Serrano-Aparicio N, Lodola A, Mulholland AJ, González FV, Swiderek K, Moliner V. Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity. Chem Sci. 2020 Nov 27; 12(4):1433-1444. PMID: 34163906.
      Citations: 10     
    6. Deeks HM, Walters RK, Barnoud J, Glowacki DR, Mulholland AJ. Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease. J Chem Inf Model. 2020 12 28; 60(12):5803-5814. PMID: 33174415.
      Citations: 3     Fields:    Translation:HumansCells
    7. Toelzer C, Gupta K, Yadav SKN, Borucu U, Davidson AD, Kavanagh Williamson M, Shoemark DK, Garzoni F, Staufer O, Milligan R, Capin J, Mulholland AJ, Spatz J, Fitzgerald D, Fitzgerald D, Berger I, Schaffitzel C. Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein. Science. 2020 11 06; 370(6517):725-730. PMID: 32958580.
      Citations: 90     Fields:    Translation:HumansAnimalsCells
    8. Amaro RE, Mulholland AJ. Biomolecular Simulations in the Time of COVID19, and After. Comput Sci Eng. 2020 Nov-Dec; 22(6):30-36. PMID: 33100917.
      Citations: 9     
    9. Amaro RE, Mulholland AJ. A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19. J Chem Inf Model. 2020 06 22; 60(6):2653-2656. PMID: 32255648.
      Citations: 21     Fields:    Translation:HumansCellsPHPublic Health