Publications by authors named "Martin Nervall"

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Charges for Large Scale Binding Free Energy Calculations with the Linear Interaction Energy Method.
Göran Wallin, Martin Nervall, Jens Carlsson, Johan Åqvist

J Chem Theory Comput· February 2009

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Predicting binding modes from free energy calculations.
Martin Nervall, Peter Hanspers, Jens Carlsson, Lars Boukharta, Johan Aqvist

J Med Chem· May 2008

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Computational analysis of plasmepsin IV bound to an allophenylnorstatine inhibitor.
Hugo Gutiérrez-de-Terán, Martin Nervall, Ben M Dunn, Jose C Clemente, Johan Aqvist

FEBS Lett· October 2006

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Inhibitor binding to the plasmepsin IV aspartic protease from Plasmodium falciparum.
Hugo Gutiérrez-de-Terán, Martin Nervall, Karolina Ersmark, Peng Liu, Linda K Janka

Biochemistry· September 2006

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Computational study of the binding affinity and selectivity of the bacterial ammonium transporter AmtB.
Victor B Luzhkov, Martin Almlöf, Martin Nervall, Johan Aqvist

Biochemistry· September 2006

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Continuum solvation models in the linear interaction energy method.
Jens Carlsson, Martin Andér, Martin Nervall, Johan Aqvist

J Phys Chem B· June 2006

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Macrocyclic inhibitors of the malarial aspartic proteases plasmepsin I, II, and IV.
Karolina Ersmark, Martin Nervall, Hugo Gutiérrez-de-Terán, Elizabeth Hamelink, Linda K Janka

Bioorg Med Chem· April 2006

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The molecular mechanism of peptide-mediated erythromycin resistance.
Martin Lovmar, Karin Nilsson, Vladimir Vimberg, Tanel Tenson, Martin Nervall

J Biol Chem· March 2006

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Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations.
Karolina Ersmark, Martin Nervall, Elizabeth Hamelink, Linda K Janka, Jose C Clemente

J Med Chem· September 2005

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