Ligand binding affinities from MD simulations J Åqvist, VB Luzhkov, BO Brandsdal Accounts of chemical research 35 (6), 358-365, 2002 | 442 | 2002 |
Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm J Åqvist, P Wennerström, M Nervall, S Bjelic, BO Brandsdal Chemical physics letters 384 (4-6), 288-294, 2004 | 330 | 2004 |
Free energy calculations and ligand binding BO Brandsdal, F Österberg, M Almlöf, I Feierberg, VB Luzhkov, J Åqvist Advances in protein chemistry 66, 123-158, 2003 | 272 | 2003 |
A synthetic antimicrobial peptidomimetic (LTX 109): stereochemical impact on membrane disruption J Isaksson, BO Brandsdal, M Engqvist, GE Flaten, JSM Svendsen, ... Journal of medicinal chemistry 54 (16), 5786-5795, 2011 | 180 | 2011 |
Binding affinity prediction with different force fields: examination of the linear interaction energy method M Almlöf, BØO Brandsdal, J Åqvist Journal of computational chemistry 25 (10), 1242-1254, 2004 | 174 | 2004 |
Albumin binding of short cationic antimicrobial micropeptides and its influence on the in vitro bactericidal effect J Svenson, BO Brandsdal, W Stensen, JS Svendsen Journal of medicinal chemistry 50 (14), 3334-3339, 2007 | 152 | 2007 |
Antimicrobial peptides with stability toward tryptic degradation J Svenson, W Stensen, BO Brandsdal, BE Haug, J Monrad, JS Svendsen Biochemistry 47 (12), 3777-3788, 2008 | 149 | 2008 |
Trypsin specificity as elucidated by LIE calculations, X‐ray structures, and association constant measurements HKS Leiros, BO Brandsdal, OA Andersen, V Os, I Leiros, R Helland, ... Protein science 13 (4), 1056-1070, 2004 | 129 | 2004 |
Entropy and enzyme catalysis J Åqvist, M Kazemi, GV Isaksen, BO Brandsdal Accounts of chemical research 50 (2), 199-207, 2017 | 125 | 2017 |
Cold adaptation of enzyme reaction rates S Bjelic, BO Brandsdal, J Åqvist Biochemistry 47 (38), 10049-10057, 2008 | 124 | 2008 |
Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin A Sivertsen, J Isaksson, HKS Leiros, J Svenson, JS Svendsen, ... BMC Structural Biology 14, 1-14, 2014 | 118 | 2014 |
Resolving the energy paradox of chaperone/usher-mediated fibre assembly AV Zavialov, VM Tischenko, LJ Fooks, BO Brandsdal, J Åqvist, ... Biochemical Journal 389 (3), 685-694, 2005 | 118 | 2005 |
Enzyme surface rigidity tunes the temperature dependence of catalytic rates GV Isaksen, J Åqvist, BO Brandsdal Proceedings of the National Academy of Sciences 113 (28), 7822-7827, 2016 | 92 | 2016 |
Computation of enzyme cold adaptation J Åqvist, GV Isaksen, BO Brandsdal Nature Reviews Chemistry 1 (7), 0051, 2017 | 90 | 2017 |
Increased flexibility as a strategy for cold adaptation: a comparative molecular dynamics study of cold-and warm-active uracil DNA glycosylase M Olufsen, AO Smalås, E Moe, BO Brandsdal Journal of Biological Chemistry 280 (18), 18042-18048, 2005 | 88 | 2005 |
Increased flexibility as a strategy for cold adaptation: a comparative molecular dynamics study of cold-and warm-active uracil DNA glycosylase M Olufsen, AO Smalås, E Moe, BO Brandsdal Journal of Biological Chemistry 280 (18), 18042-18048, 2005 | 88 | 2005 |
Protein surface softness is the origin of enzyme cold-adaptation of trypsin GV Isaksen, J Åqvist, BO Brandsdal PLoS computational biology 10 (8), e1003813, 2014 | 86 | 2014 |
Probing the effect of point mutations at protein-protein interfaces with free energy calculations M Almlöf, J Åqvist, AO Smalås, BO Brandsdal Biophysical journal 90 (2), 433-442, 2006 | 81 | 2006 |
Crystal structure of the mobile metallo-β-lactamase AIM-1 from Pseudomonas aeruginosa: insights into antibiotic binding and the role of Gln157 HKS Leiros, PS Borra, BO Brandsdal, KSW Edvardsen, J Spencer, ... Antimicrobial agents and chemotherapy 56 (8), 4341-4353, 2012 | 66 | 2012 |
Computational analysis of binding of P1 variants to trypsin BO Brandsdal, J Åqvist, AO Smalås Protein Science 10 (8), 1584-1595, 2001 | 60 | 2001 |