Benjamin Jagger, PhD

Title(s)Postdoctoral Scholar, Bioengineering
SchoolSchool of Pharmacy
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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. Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach. J Chem Theory Comput. 2020 Aug 11; 16(8):5348-5357. Jagger BR, Ojha AA, Amaro RE. PMID: 32579371.
      View in: PubMed   Mentions: 4     Fields:    
    2. Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach. J Chem Inf Model. 2020 11 23; 60(11):5340-5352. Ahn SH, Jagger BR, Amaro RE. PMID: 32315175.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    3. Multiscale simulation approaches to modeling drug-protein binding. Curr Opin Struct Biol. 2020 04; 61:213-221. Jagger BR, Kochanek SE, Haldar S, Amaro RE, Mulholland AJ. PMID: 32113133.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    4. Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach. J Phys Chem Lett. 2018 Sep 06; 9(17):4941-4948. Jagger BR, Lee CT, Amaro RE. PMID: 30070844.
      View in: PubMed   Mentions: 7     Fields:    
    5. SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding. J Phys Chem B. 2017 04 20; 121(15):3597-3606. Votapka LW, Jagger BR, Heyneman AL, Amaro RE. PMID: 28191969.
      View in: PubMed   Mentions: 19     Fields:    Translation:Cells
    6. Distinguishing the Protonation State of the Histidine Ligand to the Oxidized Iron-Sulfur Cluster from the MitoNEET Family of Proteins. Chemphyschem. 2017 Jan 04; 18(1):39-41. Koval AM, Jagger BR, Wheeler RA. PMID: 27870532.
      View in: PubMed   Mentions: 1     Fields:    Translation:HumansCells
    7. Distinguishing Protonation States of Histidine Ligands to the Oxidized Rieske Iron-Sulfur Cluster through (15) N Vibrational Frequency Shifts. Chemphyschem. 2016 Jan 18; 17(2):216-20. Jagger BR, Koval AM, Wheeler RA. PMID: 26603967.
      View in: PubMed   Mentions:    Fields:    
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