M. Lundborg

发表

Small molecules containing hetero-bicyclic ring systems compete with UDP-Glc for binding to WaaG glycosyltransferase

Karina Persson, W. Wakarchuk, G. Widmalm, 2012, Glycoconjugate Journal.

Clathrin-Independent Endocytosis Suppresses Cancer Cell Blebbing and Invasion.

Jie Song, M. Hubert, E. Larsson, 2017, Cell reports.

Molecular reorganization during formation of the human skin barrier studied in situ.

E. Lindahl, S. Masich, L. Norlén, 2020, The Journal of investigative dermatology.

EUROCarbDB: An open-access platform for glycoinformatics

Martin Frank, René Ranzinger, Wim F Vranken, 2010, Glycobiology.

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.

G. Widmalm, J. Landström, M. Lundborg, 2011, Carbohydrate research.

NMR chemical shift prediction of glycans: application of the computer program CASPER in structural analysis.

G. Widmalm, M. Lundborg, 2015, Methods in molecular biology.

Glycosyltransferase functions of E. coli O-antigens.

G. Widmalm, M. Lundborg, V. Modhukur, 2010, Glycobiology.

Structural studies of the O-antigenic polysaccharides from the enteroaggregative Escherichia coli strain 94/D4 and the international type strain Escherichia coli O82.

A. Weintraub, G. Widmalm, M. Lundborg, 2005, Carbohydrate research.

Structural Transitions in Ceramide Cubic Phases during Formation of the Human Skin Barrier.

E. Lindahl, L. Norlén, M. Lundborg, 2018, Biophysical journal.

The Skin's Barrier: A Cryo-EM Based Overview of its Architecture and Stepwise Formation.

L. Norlén, B. Daneholt, M. Lundborg, 2021, The Journal of investigative dermatology.

Human skin barrier formation takes place via a cubic to lamellar lipid phase transition as analyzed by cryo‐electron microscopy and EM‐simulation

E. Lindahl, S. Masich, L. Norlén, 2018, Experimental cell research.

Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation.

E. Lindahl, L. Norlén, B. Daneholt, 2018, Journal of structural biology.

Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinates

E. Lindahl, B. Hess, L. Norlén, 2022, Biophysical journal.

Standards for data handling 2013 1 Standards for data handling

E. Laure, M. Orozco, F. Jamitzky, 2013 .

Rapid structural elucidation of polysaccharides employing predicted functions of glycosyltransferases and NMR data: application to the O-antigen of Escherichia coli O59.

A. Weintraub, G. Widmalm, M. Lundborg, 2014, Glycobiology.

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.

S. Barbirz, C. Uetrecht, G. Widmalm, 2012, Carbohydrate research.

Predicting drug permeability through skin using molecular dynamics simulation

Erik Lindahl, Magnus Lundborg, Lars Norlén, 2018, Journal of controlled release : official journal of the Controlled Release Society.

Structural analysis of glycans by NMR chemical shift prediction.

Magnus Lundborg, Göran Widmalm, G. Widmalm, 2011, Analytical chemistry.

Predictions of Skin Permeability Using Molecular Dynamics Simulation from Two-Dimensional Sampling of Spatial and Alchemical Perturbation Reaction Coordinates

E. Lindahl, B. Hess, L. Norlén, 2022, bioRxiv.

Automatic Structure Determination of Regular Polysaccharides Based Solely on NMR Spectroscopy

G. Widmalm, M. Lundborg, C. Fontana, 2011, Biomacromolecules.

Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

E. Lindahl, A. Zhmurov, B. Hess, 2020, The Journal of chemical physics.

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.

Anders Karlén, Magnus Lundborg, Daniel Muthas, 2008, Journal of molecular graphics & modelling.

The accelerated weight histogram method for alchemical free energy calculations.

J. Lidmar, M. Lundborg, B. Hess, 2021, The Journal of chemical physics.

Small molecules containing hetero-bicyclic ring systems compete with UDP-Glc for binding to WaaG glycosyltransferase

Karina Persson, W. Wakarchuk, G. Widmalm, 2012, Glycoconjugate Journal.

Molecular simulation workflows as parallel algorithms: the execution engine of Copernicus, a distributed high-performance computing platform.

Grant M. Rotskoff, Erik Lindahl, Magnus Lundborg, 2015, Journal of chemical theory and computation.

Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations.

Erik Lindahl, Magnus Lundborg, E. Lindahl, 2015, The journal of physical chemistry. B.

An efficient and extensible format, library, and API for binary trajectory data from molecular simulations

Erik Lindahl, Magnus Lundborg, David van der Spoel, 2014, J. Comput. Chem..

An in silico virtual screening study for the design of norovirus inhibitors: fragment-based molecular docking and binding free energy calculations.

G. Widmalm, M. Lundborg, Eunus S. Ali, 2013, Carbohydrate research.

Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations.

E. Lindahl, M. Lundborg, 2015, The journal of physical chemistry. B.

On the Path to Optimal Alchemistry

B. Hess, J. Lidmar, M. Lundborg, 2023, The Protein Journal.

Understanding Drug Skin Permeation Enhancers Using Molecular Dynamics Simulations

E. Lindahl, L. Norlén, M. Lundborg, 2023, J. Chem. Inf. Model..

Standards for data handling

Erwin Laure, Yolanda Becerra, Magnus Lundborg, 2013 .