Lars Boukharta

Most-cited papers

1. Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.

   Jens Carlsson, Lars Boukharta, J. Åqvist

   2008Journal of Medicinal Chemistry86 citations Open access

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2. Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors

   Lars Boukharta, H. Gutiérrez-de-Terán, J. Åqvist

   2014PLoS Comput. Biol.64 citations Open access

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3. Toward a Consensus Model of the hERG Potassium Channel

   A. Stary, Sören J. Wacker, Lars Boukharta, U. Zachariae +4 more

   2010ChemMedChem62 citations Open access

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4. Computer simulations of structure-activity relationships for HERG channel blockers.

   Lars Boukharta, Henrik Keränen, Anna Stary-Weinzinger, G. Wallin +2 more

   2011Biochemistry42 citations Open access

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5. Predicting binding modes from free energy calculations.

   Martin Nervall, Peter Hanspers, Jens Carlsson, Lars Boukharta +1 more

   2008Journal of Medicinal Chemistry38 citations Open access

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6. Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY.

   Bo Xu, Helena Fällmar, Lars Boukharta, J. Pruner +5 more

   2013Biochemistry24 citations

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7. Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX-1 Inhibitors

   Yasmin Shamsudin Khan, H. Gutiérrez-de-Terán, Lars Boukharta, J. Åqvist

   2014Journal of Chemical Information and Modeling23 citations

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8. Mutagenesis of human neuropeptide Y/peptide YY receptor Y2 reveals additional differences to Y1 in interactions with highly conserved ligand positions.

   H. Åkerberg, Helena Fällmar, Paula Sjödin, Lars Boukharta +4 more

   2010Regulatory Peptides21 citations

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9. Mutagenesis and homology modeling of the Tn21 integron integrase IntI1.

   C. Johansson, Lars Boukharta, Jens Eriksson, J. Åqvist +1 more

   2009Biochemistry8 citations

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10. Interactions of human NPY/PYY C-terminal pentapeptide with the human Y2 receptor

    Bo Xu, Lars Boukharta, J. Pruner, I. Lundell +4 more

    20160 citations

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11. Computational Modelling of Ligand Complexes with G-Protein Coupled Receptors, Ion Channels and Enzymes

    Lars Boukharta

    20140 citations

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12. Conformational Flexibility of the hERG K+ Channel Pore Domain

    Anna Weinzinger, Kirsten Knape, Sören J. Wacker, Lars Boukharta +1 more

    20100 citations Open access

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