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Current Opinion in Structural Biology|August 14, 2012
Bridging the gap between ribosome structure and biochemistry by mechanistic computationsJohan Aqvist, Christoffer Lind, Johan Sund, et al.Accounts of Chemical Research|June 19, 2002
Ligand binding affinities from MD simulationsJohan Aqvist, Victor B Luzhkov, Bjørn O BrandsdalBiochemistry|February 8, 2007
Active site of epoxide hydrolases revisited: a noncanonical residue in potato StEH1 promotes both formation and breakdown of the alkylenzyme intermediateAnn Thomaeus, Jens Carlsson, Johan Aqvist, et al.Biochemistry|September 7, 2006
Computational study of the binding affinity and selectivity of the bacterial ammonium transporter AmtBVictor B Luzhkov, Martin Almlöf, Martin Nervall, et al.Biochimica Et Biophysica Acta|October 29, 2003
Computational modelling of the open-state Kv 1.5 ion channel block by bupivacaineVictor B Luzhkov, Johanna Nilsson, Peter Arhem, et al.Journal of Medicinal Chemistry|April 16, 2008
Predicting binding modes from free energy calculationsMartin Nervall, Peter Hanspers, Jens Carlsson, et al.Biochemistry|February 10, 2009
Mutagenesis and homology modeling of the Tn21 integron integrase IntI1Carolina Johansson, Lars Boukharta, Jens Eriksson, et al.Biophysical Journal|November 8, 2005
Probing the effect of point mutations at protein-protein interfaces with free energy calculationsMartin Almlöf, Johan Aqvist, Arne O Smalås, et al.Biochemistry|February 7, 2007
Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomeraseArieh Warshel, Pankaz K Sharma, Zhen T Chu, et al.Biomaterials|August 30, 2008
Molecular dynamics study of heparin based coatingsMartin Almlöf, Emma M E Kristensen, Hans Siegbahn, et al.Pageof 6