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Journal of Medicinal Chemistry|April 16, 2008
Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptaseJens Carlsson, Lars Boukharta, Johan AqvistBiochemistry|September 2, 2008
Cold adaptation of enzyme reaction ratesSinisa Bjelic, Bjørn O Brandsdal, Johan AqvistJournal of Computational Chemistry|May 13, 2004
Binding affinity prediction with different force fields: examination of the linear interaction energy methodMartin Almlöf, Bjørn O Brandsdal, Johan AqvistFEBS Letters|November 5, 2003
Structure-activity relationship for extracellular block of K+ channels by tetraalkylammonium ionsVictor B Luzhkov, Fredrik Osterberg, Johan AqvistJournal of the American Chemical Society|August 22, 2002
Computational study of the influence of solvent on (16)O/(18)O equilibrium isotope effects in phosphate deprotonation reactionsKarin Kolmodin, Victor B Luzhkov, Johan AqvistBiophysical Journal|October 2, 2007
Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology modelMartin Andér, Victor B Luzhkov, Johan AqvistNature Communications|April 18, 2013
Energetics of activation of GTP hydrolysis on the ribosomeGöran Wallin, Shina C L Kamerlin, Johan AqvistProteins|June 6, 2006
Free energy calculations show that acidic P1 variants undergo large pKa shifts upon binding to trypsinBjørn O Brandsdal, Arne O Smalås, Johan AqvistThe Journal of Physical Chemistry. B|June 28, 2006
Continuum solvation models in the linear interaction energy methodJens Carlsson, Martin Andér, Martin Nervall, et al.Plos Computational Biology|April 19, 2014
Computational prediction of alanine scanning and ligand binding energetics in G-protein coupled receptorsLars Boukharta, Hugo Gutiérrez-de-Terán, Johan AqvistPageof 6