Benjamin Jagger, PhD

Title(s)Postdoctoral Scholar, Bioengineering
SchoolSchool of Pharmacy
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    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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