I. Feierberg

Most-cited papers

1. Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems.

   J. Marelius, K. Kolmodin, I. Feierberg, J. Åqvist

   1998Journal of Molecular Graphics and Modelling288 citations

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2. Free energy calculations and ligand binding.

   B. Brandsdal, F. Osterberg, Martin Almlöf, I. Feierberg +2 more

   2003Advances in Protein Chemistry211 citations

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3. A small molecule PI3Kα activator for cardioprotection and neuroregeneration

   G. Q. Gong, B. Bilanges, Ben Allsop, G. Masson +37 more

   2023Nature110 citations Open access

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4. Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity.

   Karolina Ersmark, I. Feierberg, S. Bjelic, Elizabeth Hamelink +6 more

   2004Journal of Medicinal Chemistry95 citations Open access

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5. Computer Simulation of Primary Kinetic Isotope Effects in the Proposed Rate-limiting Step of the Glyoxalase I Catalyzed Reaction*

   I. Feierberg, V. Luzhkov, J. Åqvist

   2000Journal of Biological Chemistry47 citations Open access

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6. The catalytic power of ketosteroid isomerase investigated by computer simulation.

   I. Feierberg, J. Åqvist

   2002Biochemistry44 citations

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7. C2-symmetric inhibitors of Plasmodium falciparum plasmepsin II: synthesis and theoretical predictions.

   Karolina Ersmark, I. Feierberg, S. Bjelic, J. Hulten +3 more

   2003Bioorganic & Medicinal Chemistry42 citations

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8. Public-Private Partnerships: Compound and Data Sharing in Drug Discovery and Development

   A. Davis, O. Engkvist, R. Fairclough, I. Feierberg +2 more

   2021SLAS discovery : advancing life sciences R & D36 citations Open access

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9. Computational modeling of enzymatic keto-enol isomerization reactions

   I. Feierberg, J. Åqvist

   200236 citations

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10. Comparative binding energy analysis for binding affinity and target selectivity prediction

    S. Henrich, I. Feierberg, Ting Wang, N. Blomberg +1 more

    2010Proteins: Structure, Function, and Bioinformatics28 citations

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11. Energetics of the proposed rate‐determining step of the glyoxalase I reaction

    I. Feierberg, Alexander D. Cameron, J. Åqvist

    1999FEBS Letters24 citations Open access

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12. On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

    M. Hansson, John Pemberton, O. Engkvist, I. Feierberg +4 more

    2014Journal of biomolecular screening17 citations Open access

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13. Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS).

    F. Edfeldt, J. Evenäs, M. Lepistö, A. Ward +10 more

    2015Bioorganic & Medicinal Chemistry Letters14 citations Open access

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14. Computational Studies of Enzymatic Enolization Reactions and Inhibitor Binding to a Malarial Protease

    I. Feierberg

    20034 citations

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15. Bioassay Protocol Metadata Annotation: Proposed Standards Adoption.

    R. Balakrishnan, E. Berg, Christopher C. Butler, A. Clark +9 more

    2024SLAS discovery : advancing life sciences R & D2 citations Open access

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16. New potent inhibitors of the malarial aspartyl proteases plasmepsin I and II devoid of cathepsin D inhibitory activity

    Karolina Ersmark, I. Feierberg, S. Bjelic, Elizabeth Hamerlink +4 more

    20031 citations

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17. Identification of Compounds That Interfere with High‐Throughput Screening Assay Technologies

    Laurianne David, Jarrod Walsh, Noé Sturm, I. Feierberg +4 more

    2019ChemMedChem0 citations Open access

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18. Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.

    F. Edfeldt, J. Evenäs, M. Lepisto, A. Ward +10 more

    20150 citations

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19. HTS explorer

    C. Müller, I. Feierberg, O. Engkvist, C. Tyrchan

    2014Journal of Cheminformatics0 citations Open access

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20. Hit series selection in noisy HTS data: clustering techniques, statistical tests and data visualisations

    C. Müller, D. Ormsby, I. Feierberg, O. Engkvist +2 more

    2014Journal of Cheminformatics0 citations Open access

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