Magnus Lundborg
Magnus Lundborg
Researcher at KTH, SciLifeLab, Sweden
Verified email at - Homepage
Cited by
Cited by
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
Structural analysis of glycans by NMR chemical shift prediction
M Lundborg, G Widmalm
Analytical chemistry 83 (5), 1514-1517, 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
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
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
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
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
Automatic structure determination of regular polysaccharides based solely on NMR spectroscopy
M Lundborg, C Fontana, G Widmalm
Biomacromolecules 12 (11), 3851-3855, 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
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
Glycosyltransferase functions of E. coli O-antigens
M Lundborg, V Modhukur, G Widmalm
Glycobiology 20 (3), 366-368, 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
GROMACS 2023.1 Manual
M Abraham, A Alekseenko, C Bergh, C Blau, E Briand, M Doijade, ...
GROMACS: Groningen, The Netherlands, 2023
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
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
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
An efficient and extensible format, library, and API for binary trajectory data from molecular simulations
M Lundborg, R Apostolov, D Spĺngberg, A Gärdenäs, D van der Spoel, ...
Journal of computational chemistry 35 (3), 260-269, 2014
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
The accelerated weight histogram method for alchemical free energy calculations
M Lundborg, J Lidmar, B Hess
The Journal of Chemical Physics 154 (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
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