| Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS S Páll, A Zhmurov, P Bauer, M Abraham, M Lundborg, A Gray, B Hess, ... The Journal of Chemical Physics 153 (13), 2020 | 334 | 2020 |
| Structural analysis of glycans by NMR chemical shift prediction M Lundborg, G Widmalm Analytical chemistry 83 (5), 1514-1517, 2011 | 214 | 2011 |
| EUROCarbDB: an open-access platform for glycoinformatics CW Von Der Lieth, AA Freire, D Blank, MP Campbell, A Ceroni, ... Glycobiology 21 (4), 493-502, 2011 | 136 | 2011 |
| Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations M Lundborg, E Lindahl The Journal of Physical Chemistry B 119 (3), 810-823, 2015 | 107 | 2015 |
| Predicting drug permeability through skin using molecular dynamics simulation M Lundborg, CL Wennberg, A Narangifard, E Lindahl, L Norlén Journal of controlled release 283, 269-279, 2018 | 98 | 2018 |
| Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation M Lundborg, A Narangifard, CL Wennberg, E Lindahl, B Daneholt, ... Journal of structural biology 203 (2), 149-161, 2018 | 75 | 2018 |
| Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering D Muthas, YA Sabnis, M Lundborg, A Karlén Journal of Molecular Graphics and Modelling 26 (8), 1237-1251, 2008 | 69 | 2008 |
| Automatic structure determination of regular polysaccharides based solely on NMR spectroscopy M Lundborg, C Fontana, G Widmalm Biomacromolecules 12 (11), 3851-3855, 2011 | 55 | 2011 |
| Complete 1H and 13C NMR chemical shift assignments of mono-, di-, and trisaccharides as basis for NMR chemical shift predictions of polysaccharides using the computer program … MU Roslund, E Säwén, J Landström, J Rönnols, KHM Jonsson, ... Carbohydrate research 346 (11), 1311-1319, 2011 | 52 | 2011 |
| Molecular simulation workflows as parallel algorithms: the execution engine of Copernicus, a distributed high-performance computing platform S Pronk, I Pouya, M Lundborg, G Rotskoff, B Wesen, PM Kasson, ... Journal of chemical theory and computation 11 (6), 2600-2608, 2015 | 49 | 2015 |
| Glycosyltransferase functions of E. coli O-antigens M Lundborg, V Modhukur, G Widmalm Glycobiology 20 (3), 366-368, 2010 | 47 | 2010 |
| Clathrin-independent endocytosis suppresses cancer cell blebbing and invasion MR Holst, M Vidal-Quadras, E Larsson, J Song, M Hubert, J Blomberg, ... Cell reports 20 (8), 1893-1905, 2017 | 46 | 2017 |
| CarbBuilder: an adjustable tool for building 3D molecular structures of carbohydrates for molecular simulation M Kuttel, Y Mao, G Widmalm, M Lundborg 2011 IEEE seventh international conference on eScience, 395-402, 2011 | 30 | 2011 |
| Human skin barrier formation takes place via a cubic to lamellar lipid phase transition as analyzed by cryo-electron microscopy and EM-simulation A Narangifard, L Den Hollander, CL Wennberg, M Lundborg, E Lindahl, ... Experimental Cell Research, 2018 | 29 | 2018 |
| GROMACS 2023.1 Manual M Abraham, A Alekseenko, C Bergh, C Blau, E Briand, M Doijade, ... GROMACS: Groningen, The Netherlands, 2023 | 28 | 2023 |
| The skin's barrier: a cryo-EM based overview of its architecture and stepwise formation L Norlén, M Lundborg, C Wennberg, A Narangifard, B Daneholt Journal of Investigative Dermatology 142 (2), 285-292, 2022 | 24 | 2022 |
| An efficient and extensible format, library, and API for binary trajectory data from molecular simulations M Lundborg, R Apostolov, D Spångberg, A Gärdenäs, D van der Spoel, ... Journal of computational chemistry 35 (3), 260-269, 2014 | 24 | 2014 |
| The accelerated weight histogram method for alchemical free energy calculations M Lundborg, J Lidmar, B Hess The Journal of Chemical Physics 154 (20), 2021 | 20 | 2021 |
| Molecular reorganization during the formation of the human skin barrier studied in situ A Narangifard, CL Wennberg, L den Hollander, I Iwai, HM Han, ... Journal of Investigative Dermatology 141 (5), 1243-1253. e6, 2021 | 20 | 2021 |
| Copernicus, a hybrid dataflow and peer-to-peer scientific computing platform for efficient large-scale ensemble sampling I Pouya, S Pronk, M Lundborg, E Lindahl Future Generation Computer Systems 71, 18-31, 2017 | 20 | 2017 |
Erik LindahlProfessor of Biophysics, Stockholm University & KTH, Science for Life LaboratoryVerified email at dbb.su.se
