Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin—an insight from molecular dynamics simulations with classical and ab initio force fields Jarosław J. PanekThomas R. WardMarjana Novič OriginalPaper Open access 05 June 2010 Pages: 719 - 732
Phosphorylation and ATP-binding induced conformational changes in the PrkC, Ser/Thr kinase from B. subtilis Paweł GruszczyńskiMichał ObuchowskiRajmund Kaźmierkiewicz OriginalPaper 19 June 2010 Pages: 733 - 747
An efficient synthesis of a rationally designed 1,5 disubstituted imidazole AT1 Angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studies George AgelisPanagiota RoumeliotiJohn Matsoukas OriginalPaper 10 July 2010 Pages: 749 - 758
In silico analysis of the histaprodifen induced activation pathway of the guinea-pig histamine H1-receptor Andrea StraßerHans-Joachim Wittmann OriginalPaper 07 July 2010 Pages: 759 - 769
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0 Giulio VistoliAlessandro PedrettiBernard Testa OriginalPaper 11 July 2010 Pages: 771 - 787
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics M. Stuart ArmstrongGarrett M. MorrisW. Graham Richards OriginalPaper 08 July 2010 Pages: 789 - 801