| Comparison of methods for deriving atomic charges from the electrostatic potential and moments E Sigfridsson, U Ryde Journal of Computational Chemistry 19 (4), 377-395, 1998 | 456 | 1998 |
| On the role of the axial ligand in heme proteins: a theoretical study P Rydberg, E Sigfridsson, U Ryde JBIC Journal of Biological Inorganic Chemistry 9, 203-223, 2004 | 229 | 2004 |
| A comparison of the inner-sphere reorganization energies of cytochromes, iron− sulfur clusters, and blue copper proteins E Sigfridsson, MHM Olsson, U Ryde The Journal of Physical Chemistry B 105 (23), 5546-5552, 2001 | 150 | 2001 |
| On the significance of hydrogen bonds for the discrimination between CO and O2 by myoglobin E Sigfridsson, U Ryde JBIC Journal of Biological Inorganic Chemistry 4, 99-110, 1999 | 125 | 1999 |
| Prediction of drug candidates' sensitivity toward autoxidation: computational estimation of CH dissociation energies of carbon-centered radicals T Andersson, A Broo, E Evertsson Journal of pharmaceutical sciences 103 (7), 1949-1955, 2014 | 121 | 2014 |
| Inner-sphere reorganization energy of iron− sulfur clusters studied with theoretical methods E Sigfridsson, MHM Olsson, U Ryde Inorganic Chemistry 40 (11), 2509-2519, 2001 | 112 | 2001 |
| Matched molecular pair analysis in short: algorithms, applications and limitations C Tyrchan, E Evertsson Computational and structural biotechnology journal 15, 86-90, 2017 | 95 | 2017 |
| Theoretical study of the discrimination between O2 and CO by myoglobin E Sigfridsson, U Ryde Journal of inorganic biochemistry 91 (1), 101-115, 2002 | 86 | 2002 |
| The importance of porphyrin distortions for the ferrochelatase reaction E Sigfridsson, U Ryde JBIC Journal of Biological Inorganic Chemistry 8, 273-282, 2003 | 84 | 2003 |
| An automatic method to generate force-field parameters for hetero-compounds K Nilsson, D Lecerof, E Sigfridsson, U Ryde Acta Crystallographica Section D: Biological Crystallography 59 (2), 274-289, 2003 | 81 | 2003 |
| Synthesis and functionalization of cyclic sulfonimidamides: a novel chiral heterocyclic carboxylic acid bioisostere N Pemberton, H Graden, E Evertsson, E Bratt, M Lepistö, ... ACS Medicinal Chemistry Letters 3 (7), 574-578, 2012 | 56 | 2012 |
| Metal binding to Bacillus subtilis ferrochelatase and interaction between metal sites D Lecerof, MN Fodje, R Alvarez León, U Olsson, A Hansson, ... JBIC Journal of Biological Inorganic Chemistry 8, 452-458, 2003 | 56 | 2003 |
| Discovery of the fibrinolysis inhibitor AZD6564, acting via interference of a protein–protein interaction L Cheng, D Pettersen, B Ohlsson, P Schell, M Karle, E Evertsson, ... ACS medicinal chemistry letters 5 (5), 538-543, 2014 | 41 | 2014 |
| Discovery of cyclopentane-and cyclohexane-trans-1, 3-diamines as potent melanin-concentrating hormone receptor 1 antagonists F Giordanetto, O Karlsson, J Lindberg, LO Larsson, A Linusson, ... Bioorganic & medicinal chemistry letters 17 (15), 4232-4241, 2007 | 35 | 2007 |
| Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands AY Belorusova, E Evertsson, D Hovdal, J Sandmark, E Bratt, I Maxvall, ... Communications biology 2 (1), 431, 2019 | 18 | 2019 |
| Machine learning for small molecule drug discovery in academia and industry A Volkamer, S Riniker, E Nittinger, J Lanini, F Grisoni, E Evertsson, ... Artificial Intelligence in the Life Sciences 3, 100056, 2023 | 15 | 2023 |
| Restrained point‐charge models for disaccharides E Sigfridsson, U Ryde, BL Bush Journal of computational chemistry 23 (3), 351-364, 2002 | 15 | 2002 |
| Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors JG Cumming, JE Debreczeni, F Edfeldt, E Evertsson, M Harrison, ... Journal of Medicinal Chemistry 58 (1), 278-293, 2015 | 12 | 2015 |
| A hierarchical screening approach to enantiomeric separation E Evertsson, J Rönnberg, J Stålring, L Thunberg Chirality 29 (5), 202-212, 2017 | 10 | 2017 |
| Predicting the relative binding affinity of mineralocorticoid receptor antagonists by density functional methods K Roos, A Hogner, D Ogg, MJ Packer, E Hansson, KL Granberg, ... Journal of computer-aided molecular design 29, 1109-1122, 2015 | 8 | 2015 |
