Publications by authors named "Magnus Lundborg"

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The need to implement FAIR principles in biomolecular simulations.
Rommie E Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Magnus Lundborg

Nat Methods· April 2025

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Simulating the Skin Permeation Process of Ionizable Molecules.
Magnus Lundborg, Christian Wennberg, Erik Lindahl, Lars Norlén

J Chem Inf Model· July 2024

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On the Path to Optimal Alchemistry.
Magnus Lundborg, Jack Lidmar, Berk Hess

Protein J· October 2023

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Understanding Drug Skin Permeation Enhancers Using Molecular Dynamics Simulations.
Christian Wennberg, Magnus Lundborg, Erik Lindahl, Lars Norlén

J Chem Inf Model· August 2023

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Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinates.
Magnus Lundborg, Christian Wennberg, Jack Lidmar, Berk Hess, Erik Lindahl

Biophys J· October 2022

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The Skin's Barrier: A Cryo-EM Based Overview of its Architecture and Stepwise Formation.
Lars Norlén, Magnus Lundborg, Christian Wennberg, Ali Narangifard, Bertil Daneholt

J Invest Dermatol· February 2022

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Molecular Reorganization during the Formation of the Human Skin Barrier Studied In Situ.
Ali Narangifard, Christian L Wennberg, Lianne den Hollander, Ichiro Iwai, HongMei Han, Magnus Lundborg

J Invest Dermatol· May 2021

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Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS.
Szilárd Páll, Artem Zhmurov, Paul Bauer, Mark Abraham, Magnus Lundborg

J Chem Phys· October 2020

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Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation.
Magnus Lundborg, Ali Narangifard, Christian L Wennberg, Erik Lindahl, Bertil Daneholt

J Struct Biol· August 2018

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Predicting drug permeability through skin using molecular dynamics simulation.
Magnus Lundborg, Christian L Wennberg, Ali Narangifard, Erik Lindahl, Lars Norlén

J Control Release· August 2018

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Structural Transitions in Ceramide Cubic Phases during Formation of the Human Skin Barrier.
Christian L Wennberg, Ali Narangifard, Magnus Lundborg, Lars Norlén, Erik Lindahl

Biophys J· March 2018

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Clathrin-Independent Endocytosis Suppresses Cancer Cell Blebbing and Invasion.
Mikkel Roland Holst, Maite Vidal-Quadras, Elin Larsson, Jie Song, Madlen Hubert, Magnus Lundborg

Cell Rep· August 2017

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NMR chemical shift prediction of glycans: application of the computer program CASPER in structural analysis.
Magnus Lundborg, Göran Widmalm

Methods Mol Biol· November 2015

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Molecular simulation workflows as parallel algorithms: the execution engine of Copernicus, a distributed high-performance computing platform.
Sander Pronk, Iman Pouya, Magnus Lundborg, Grant Rotskoff, Björn Wesén

J Chem Theory Comput· June 2015

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Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations.
Magnus Lundborg, Erik Lindahl

J Phys Chem B· January 2015

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Rapid structural elucidation of polysaccharides employing predicted functions of glycosyltransferases and NMR data: application to the O-antigen of Escherichia coli O59.
Carolina Fontana, Magnus Lundborg, Andrej Weintraub, Göran Widmalm

Glycobiology· May 2014

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An efficient and extensible format, library, and API for binary trajectory data from molecular simulations.
Magnus Lundborg, Rossen Apostolov, Daniel Spångberg, Anders Gärdenäs, David van der Spoel

J Comput Chem· January 2014

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An in silico virtual screening study for the design of norovirus inhibitors: fragment-based molecular docking and binding free energy calculations.
Magnus Lundborg, Eunus Ali, Göran Widmalm

Carbohydr Res· August 2013

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Small molecules containing hetero-bicyclic ring systems compete with UDP-Glc for binding to WaaG glycosyltransferase.
Jens Landström, Karina Persson, Christoph Rademacher, Magnus Lundborg, Warren Wakarchuk

Glycoconj J· October 2012

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Structural studies of the O-antigen polysaccharide from Escherichia coli TD2158 having O18 serogroup specificity and aspects of its interaction with the tailspike endoglycosidase of the infecting bacteriophage HK620.
Mona V Zaccheus, Nina K Broeker, Magnus Lundborg, Charlotte Uetrecht, Stefanie Barbirz

Carbohydr Res· August 2012

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Structural studies and biosynthetic aspects of the O-antigen polysaccharide from Escherichia coli O174.
Carolina Fontana, Magnus Lundborg, Andrej Weintraub, Göran Widmalm

Carbohydr Res· June 2012

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Automatic structure determination of regular polysaccharides based solely on NMR spectroscopy.
Magnus Lundborg, Carolina Fontana, Göran Widmalm

Biomacromolecules· November 2011

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Complete (1)H and (13)C NMR chemical shift assignments of mono-, di-, and trisaccharides as basis for NMR chemical shift predictions of polysaccharides using the computer program casper.
Mattias U Roslund, Elin Säwén, Jens Landström, Jerk Rönnols, K Hanna M Jonsson, Magnus Lundborg

Carbohydr Res· August 2011

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EUROCarbDB: An open-access platform for glycoinformatics.
Claus-Wilhelm von der Lieth, Ana Ardá Freire, Dennis Blank, Matthew P Campbell, Alessio Ceroni, Magnus Lundborg

Glycobiology· April 2011

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Structural analysis of glycans by NMR chemical shift prediction.
Magnus Lundborg, Göran Widmalm

Anal Chem· March 2011

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