Mikael Lund

Strong electrostatic attraction drives milk heteroprotein complex coacervation

Isabel Vinterbladh, Rima Hachfi Soussi, Jan Forsman, Said Bouhallab, Mikael Lund
(2025) International Journal of Biological Macromolecules, 286
Journal article

Enhanced diffusion through multivalency

Ladislav Bartoš, Mikael Lund, Robert Vacha
(2024) Soft Matter, 21 p.179-185
Journal article

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

Harold W. Hatch, Christina Bergonzo, Marco A. Blanco, Guangcui Yuan, Sergei Grudinin, et al.
(2024) Journal of Chemical Physics, 161
Journal article

A multi-scale numerical approach to study monoclonal antibodies in solution

Marco Polimeni, Emanuela Zaccarelli, Alessandro Gulotta, Mikael Lund, Anna Stradner, et al.
(2024) APL Bioengineering, 8
Journal article

Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles

Giulio Tesei, Ya Wen Hsiao, Aleksandra Dabkowska, Gunnar Grõnberg, Marianna Yanez Arteta, et al.
(2024) Proceedings of the National Academy of Sciences of the United States of America, 121
Journal article

Salt Effects on Caffeine across Concentration Regimes

Stefan Hervø-Hansen, Jakub Polák, Markéta Tomandlová, Joachim Dzubiella, Jan Heyda, et al.
(2023) Journal of Physical Chemistry B, 127 p.10253-10265
Journal article

Chemometrics in Protein Formulation : Stability Governed by Repulsion and Protein Unfolding

Alina Kulakova, Dillen Augustijn, Inas El Bialy, Lorenzo Gentiluomo, Maria Laura Greco, et al.
(2023) Molecular Pharmaceutics, 20 p.2951-2965
Journal article

Anisotropic protein-protein interactions in dilute and concentrated solutions

Coralie Pasquier, Søren Roi Midtgaard, Marco Polimeni, Christian Isak Jørgensen, Lise Arleth, et al.
(2023) Journal of Colloid and Interface Science, 629 p.794-804
Journal article

Electronic polarization effects on membrane translocation of anti-cancer drugs

Atiyeh Najla Hosseini, Mikael Lund, Mohammad Reza Ejtehadi
(2022) Physical Chemistry Chemical Physics, 24 p.12281-12292
Journal article

A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions

Atiyeh Najla Hosseini, Mikael Lund, Mohammad Reza Ejtehadi
(2022) Physical Chemistry Chemical Physics, 24 p.3647-3654
Journal article

Counterintuitive Electrostatics upon Metal Ion Coordination to a Receptor with Two Homotopic Binding Sites

Vidar Aspelin, Anna Lidskog, Carlos Solano Arribas, Stefan Hervø-Hansen, Björn Stenqvist, et al.
(2022) Journal of the American Chemical Society, 144 p.2921-2932
Journal article

Anion-cation contrast of small molecule solvation in salt solutions

Stefan Hervø-Hansen, Jan Heyda, Mikael Lund, Nobuyuki Matubayasi
(2022) Physical Chemistry Chemical Physics, 24 p.3238-3249
Journal article

Conformation- and phosphorylation-dependent electron tunnelling across self-assembled monolayers of tau peptides

Ali Akbar Ashkarran, Atiyeh Hosseini, Reza Loloee, George Perry, Ki Bum Lee, et al.
(2022) Journal of Colloid and Interface Science, 606 p.2038-2050
Journal article

Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling

Sujata Mahapatra, Marco Polimeni, Lorenzo Gentiluomo, Dierk Roessner, Wolfgang Frieß, et al.
(2022) Molecular Pharmaceutics, 19 p.508-519
Journal article

Electrostatics Drive Oligomerization and Aggregation of Human Interferon Alpha-2a

Christin Pohl, Marco Polimeni, Sowmya Indrakumar, Werner Streicher, Günther H.J. Peters, et al.
(2021) Journal of Physical Chemistry B, 125 p.13657-13669
Journal article

Virtual cell model for osmotic pressure calculation of charged biomolecules

Marco Polimeni, Coralie Pasquier, Mikael Lund
(2021) Journal of Chemical Physics, 155
Journal article

Direct Evidence for Reaction between Cellulose and CO₂from Nuclear Magnetic Resonance

Maria Gunnarsson, Diana Bernin, Merima Hasani, Mikael Lund, Erik Bialik
(2021) ACS Sustainable Chemistry and Engineering, 9 p.14006-14011
Journal article

Charge Regulation during Amyloid Formation of α-Synuclein

Tinna Pálmadóttir, Anders Malmendal, Thom Leiding, Mikael Lund, Sara Linse
(2021) Journal of the American Chemical Society, 143 p.7777-7791
Journal article

Impact of arginine−phosphate interactions on the reentrant condensation of disordered proteins

Samuel Lenton, Stefan Hervø-Hansen, Anton M. Popov, Mark D. Tully, Mikael Lund, et al.
(2021) Biomacromolecules, 22 p.1532-1544
Journal article

Anomalous Salt Dependence Reveals an Interplay of Attractive and Repulsive Electrostatic Interactions in α-synuclein Fibril Formation

Ricardo Gaspar, Mikael Lund, Emma Sparr, Sara Linse
(2020) Quarterly Reviews in Biophysics Discovery, 1
Journal article

Integrating All-Atom and Coarse-Grained Simulations - Toward Understanding of IDPs at Surfaces

Kristin Hyltegren, Marco Polimeni, Marie Skepö, Mikael Lund
(2020) Journal of Chemical Theory and Computation, 16 p.1843-1853
Journal article

Generalized Moment Correction for Long-Ranged Electrostatics

Björn Stenqvist, Vidar Aspelin, Mikael Lund
(2020) Journal of Chemical Theory and Computation, 16 p.3737-3745
Journal article

On short-ranged pair-potentials for long-range electrostatics

Björn Stenqvist, Mikael Lund
(2019) Physical Chemistry Chemical Physics, 21 p.24787-24792
Journal article

Molecular insight into carboxylic acid-alkali metal cations interactions : Reversed affinities and ion-pair formation revealed by non-linear optics and simulations

Adrien Sthoer, Jana Hladílková, Mikael Lund, Eric Tyrode
(2019) Physical Chemistry Chemical Physics, 21 p.11329-11344
Journal article

Hydrodynamic trapping measures the interaction between membrane-associated molecules

Victoria Junghans, Jana Hladilkova, Ana Mafalda Santos, Mikael Lund, Simon J. Davis, et al.
(2018) Scientific Reports, 8
Journal article

Replicate or alternate? Isotropic boundary conditions and implications for Ewald summation

B. Stenqvist, M. Lund
(2018) EPL, 123
Journal article

Arginine "magic" : Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides

Mario Vazdar, Jan Heyda, Philip E. Mason, Giulio Tesei, Christoph Allolio, et al.
(2018) Accounts of Chemical Research, 51 p.1455-1464
Journal article

Micropatterned Carbon-on-Quartz Electrode Chips for Photocurrent Generation from Thylakoid Membranes

Ada-Ioana Bunea, Arto Heiskanen, Galina Pankratova, Giulio Tesei, Mikael Lund, et al.
(2018) ACS Applied Energy Materials, 1 p.3313-3322
Journal article

Specific Cation Effects on SCN^– in Bulk Solution and at the Air−Water Interface

Giulio Tesei, Vidar Aspelin, Mikael Lund
(2018) The Journal of Physical Chemistry Part B, 122 p.5094-5105
Journal article

Aggregate Size Dependence of Amyloid Adsorption onto Charged Interfaces

Giulio Tesei, Erik Hellstrand, Kalyani Sanagavarapu, Sara Linse, Emma Sparr, et al.
(2018) Langmuir, 34 p.1266-1273
Journal article

Nonclassical Hydrophobic Effect in Micellization : Molecular Arrangement of Non-Amphiphilic Structures

Mariusz Uchman, Alexei I. Abrikosov, Martin Lepšík, Mikael Lund, Pavel Matějíček
(2018) Advanced Theory and Simulations, 1
Journal article

Coarse-grained model of titrating peptides interacting with lipid bilayers

Giulio Tesei, Mario Vazdar, Mikael Lund
(2018) The Journal of chemical physics, 149
Journal article

Total Description of Intrinsic Amphiphile Aggregation : Calorimetry Study and Molecular Probing

Roberto Fernandez-Alvarez, Žiga Medoš, Zdeněk Tošner, Alexander Zhigunov, Mariusz Uchman, et al.
(2018) Langmuir, 34 p.14448-14457
Journal article

Self-association of a highly charged arginine-rich cell-penetrating peptide

Giulio Tesei, Mario Vazdar, Malene Ringkjøbing Jensen, Carolina Cragnell, Phil E Mason, et al.
(2017) Proceedings of the National Academy of Sciences of the United States of America, 114 p.11428-11433
Journal article

Assembling oppositely charged lock and key responsive colloids: A mesoscale analog of adaptive chemistry

Adriana M. Mihut, Björn Stenqvist, Mikael Lund, Peter Schurtenberger, Jerome Crassous
(2017) Science Advances, 3 p.1700321-1700321
Journal article

On the dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide : a frustrated solvent

Alexander Idström, Luigi Gentile, Marta Gubitosi, Carina Olsson, Björn Stenqvist, et al.
(2017) Cellulose, 24 p.3645-3657
Journal article

Anomalous Protein-Protein Interactions in Multivalent Salt Solution

Coralie Pasquier, Mario Vazdar, Jan Forsman, Pavel Jungwirth, Mikael Lund
(2017) Journal of Physical Chemistry B, 121 p.3000-3006
Journal article

Steering patchy particles using multivalent electrolytes

Alexei Abrikossov, Björn Stenqvist, Mikael Lund
(2017) Soft Matter, 13 p.4591-4597
Journal article

Ionization of Cellobiose in Aqueous Alkali and the Mechanism of Cellulose Dissolution

Erik Bialik, Björn Stenqvist, Yuan Fang, Åsa Östlund, István Furó, et al.
(2016) The Journal of Physical Chemistry Letters, 7 p.5044-5048
Journal article

Concentration-Induced Association in a Protein System Caused by a Highly Directional Patch Attraction

Weimin Li, Björn A. Persson, Mikael Lund, Johan Bergenholtz, Malin Zackrisson
(2016) Journal of Physical Chemistry B, 120 p.8953-8959
Journal article

Water-Mediated Ion Pairing : Occurrence and Relevance

Nico F A Van Der Vegt, Kristoffer Haldrup, Sylvie Roke, Junrong Zheng, Mikael Lund, et al.
(2016) Chemical Reviews, 116 p.7626-7641
Journal article review

Lateral Protein-Protein Interactions at Hydrophobic and Charged Surfaces as a Function of pH and Salt Concentration

Jana Hladílková, Thomas H. Callisen, Mikael Lund
(2016) The Journal of Physical Chemistry Part B, 120 p.3303-3310
Journal article

Anisotropic protein-protein interactions due to ion binding.

Mikael Lund
(2016) Colloids and Surfaces B: Biointerfaces, 137 p.17-21
Journal article

Strings and stripes formed by a protein system interacting via a single-patch attraction

Weimin Li, Maxim Morin, Emil Gustafsson, Björn A. Persson, Mikael Lund, et al.
(2016) Soft Matter, 12 p.9330-9333
Journal article

Osmotic pressures of lysozyme solutions from gas-like to crystal states

Coralie Pasquier, Sylvie Beaufils, Antoine Bouchoux, Sophie Rigault, Bernard Cabane, et al.
(2016) Physical Chemistry Chemical Physics, 18 p.28458-28465
Journal article

Adsorption of the intrinsically disordered saliva protein histatin 5 to silica surfaces. A Monte Carlo simulation and ellipsometry study.

Kristin Hyltegren, Tommy Nylander, Mikael Lund, Marie Skepö
(2016) Journal of Colloid and Interface Science, 467 p.280-290
Journal article

Dimerization of Terminal Domains in Spiders Silk Proteins Is Controlled by Electrostatic Anisotropy and Modulated by Hydrophobic Patches

Anil Kurut, Cedric Dicko, Mikael Lund
(2015) ACS Biomaterials Science & Engineering, 1 p.363-371
Journal article

Direct summation of dipole-dipole interactions using the Wolf formalism

Björn Stenqvist, Martin Trulsson, Alexei Abrikossov, Mikael Lund
(2015) Journal of Chemical Physics, 143
Journal article

Cellulose-Water Interactions: Effect of electronic polarizability

Björn Stenqvist, Erik Wernersson, Mikael Lund
(2015) Nordic Pulp & Paper Research Journal, 30 p.26-31
Journal article

The mechanism of cellulose solubilization by urea studied by molecular simulation

Erik Wernersson, Björn Stenqvist, Mikael Lund
(2015) Cellulose, 22 p.991-1001
Journal article

Charge-Induced Patchy Attractions between Proteins

Weimin Li, Björn Persson, Maxim Morin, Manja Behrens, Mikael Lund, et al.
(2015) The Journal of Physical Chemistry Part B, 119 p.503-508
Journal article

Surface Effects on Aggregation Kinetics of Amyloidogenic Peptides

Robert Vacha, Sara Linse, Mikael Lund
(2014) Journal of the American Chemical Society, 136 p.11776-11782
Journal article

Role of histidine for charge regulation of unstructured peptides at interfaces and in bulk.

Anil Kurut Sabanoglu, Joao Henriques, Jan Forsman, Marie Skepö, Mikael Lund
(2014) Proteins, 82 p.657-667
Journal article

Effect of arginine-rich cell penetrating peptides on membrane pore formation and life-times: a molecular simulation study

Delin Sun, Jan Forsman, Mikael Lund, Clifford E. Woodward
(2014) Physical Chemistry Chemical Physics, 16 p.20785-20795
Journal article

Weak Self-Interactions of Globular Proteins Studied by Small-Angle X-ray Scattering and Structure-Based Modeling.

Shuji Kaieda, Mikael Lund, Tomás Plivelic, Bertil Halle
(2014) The Journal of Physical Chemistry Part B, 118 p.10111-10119
Journal article

Solution electrostatics beyond pH: a coarse grained approach to ion specific interactions between macromolecules

Anil Kurut Sabanoglu, Mikael Lund
(2013) Faraday Discussions, 160 p.271-278
Journal article

High Expression of Midkine in the Airways of Patients with Cystic Fibrosis.

Sara Nordin, Sandra Jovic, Anil Kurut Sabanoglu, Cecilia Andersson, Anele Gela, et al.
(2013) American Journal of Respiratory Cell and Molecular Biology, 49 p.935-942
Journal article

Composition- and Size-Controlled Cyclic Self-Assembly by Solvent- and C60-Responsive Self-Sorting.

Qixun Shi, Karl-Erik Bergquist, Ruiping Huo, Jilai Li, Mikael Lund, et al.
(2013) Journal of the American Chemical Society, 135 p.15263-15268
Journal article

Faunus - a flexible framework for Monte Carlo simulation

Björn Stenqvist, Axel Thuresson, Anil Kurut Sabanoglu, Robert Vacha, Mikael Lund
(2013) Molecular Simulation, 39 p.1205-1211
Journal article

Charge regulation in biomolecular solution.

Mikael Lund, Bo Jönsson
(2013) Quarterly Reviews of Biophysics, 46 p.265-281
Journal article review

Anisotropic Interactions in Protein Mixtures,: Self Assembly and Phase Behavior in Aqueous Solution

Anil Kurut Sabanoglu, Björn Persson, Torbjörn Åkesson, Jan Forsman, Mikael Lund
(2012) The Journal of Physical Chemistry Letters, 3 p.731-734
Journal article

Om svensk rødfarve -- historien og jernkemien bag de røde huse

Mikael Lund
(2012) Dansk Kemi, 93 p.24-25
Journal article

Adsorption of Unstructured Protein beta-Casein to Hydrophobic and Charged Surfaces

Chris H. J. Evers, Thorbjorn Andersson, Mikael Lund, Marie Skepö
(2012) Langmuir, 28 p.11852-11858
Journal article

Investigation at Residue Level of the Early Steps during the Assembly of Two Proteins into Supramolecular Objects

Delphine B. Salvatore, Nicolas Duraffourg, Adrien Favier, Björn Persson, Mikael Lund, et al.
(2011) Biomacromolecules, 12 p.2200-2210
Journal article

Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface

E. Wernersson, J. Heyda, M. Vazdar, Mikael Lund, P. E. Mason, et al.
(2011) The Journal of Physical Chemistry Part B, 115 p.12521-12526
Journal article

Topology Selection and Tautoleptic Aggregation: Formation of an Enantiomerically Pure Supramolecular Belt over a Helix.

Edvinas Orentas, Carl-Johan Wallentin, Karl-Erik Bergquist, Mikael Lund, Eugenijus Butkus, et al.
(2011) Angewandte Chemie (International edition), 50 p.2071-2074
Journal article

Dielectric Interpretation of Specificity of Ion Pairing in Water

Mikael Lund, Barbara Jagoda-Cwiklik, Clifford E. Woodward, Robert Vácha, Pavel Jungwirth
(2010) The Journal of Physical Chemistry Letters, 1 p.300-303
Journal article

Molecular evidence of stereo-specific lactoferrin dimers in solution.

Björn Persson, Mikael Lund, Jan Forsman, Dereck E W Chatterton, Torbjörn Åkesson
(2010) Biophysical Chemistry, 151 p.187-189
Journal article

Reversal of Hofmeister Ordering for Pairing of NH4+ vs Alkylated Ammonium Cations with Halide Anions in Water

Jan Heyda, Mikael Lund, Milan Oncak, Petr Slavicek, Pavel Jungwirth
(2010) The Journal of Physical Chemistry Part B, 114 p.10843-10852
Journal article

Electrostatic Chameleons in Biological Systems.

Mikael Lund
(2010) Journal of the American Chemical Society, 132 p.17337-17339
Journal article

pK(a) Values for the Unfolded State under Native Conditions Explain the pH-Dependent Stability of PGB1.

Stina Lindman, Mikael Bauer, Mikael Lund, Carl Diehl, Frans Mulder, et al.
(2010) Biophysical Journal, 99 p.3365-3373
Journal article

Fast Proton Titration Scheme for Multiscale Modeling of Protein Solutions

Andre Azevedo Reis Teixeira, Mikael Lund, Fernando Luis Barroso da Silva
(2010) Journal of Chemical Theory and Computation, 6 p.3259-3266
Journal article

Ion binding to biomolecules

Mikael Lund, Jan Heyda, Pavel Jungwirth
(2009) Specific Ion Effects , p.217-230
Book chapter

Association and electrostatic steering of alpha-lactalbumin-lysozyme heterodimers

Björn Persson, Mikael Lund
(2009) Physical Chemistry Chemical Physics, 11 p.8879-8885
Journal article

Enhanced Protein Steering: Cooperative Electrostatic and van der Waals Forces in Antigen-Antibody Complexes.

Björn Persson, Bo Jönsson, Mikael Lund
(2009) The Journal of Physical Chemistry Part B, 113 p.10459-10464
Journal article

Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach

Lubos Vrbka, Mikael Lund, Immanuel Kalcher, Joachim Dzubiella, Roland R. Netz, et al.
(2009) Journal of Chemical Physics, 131
Journal article

Patchy proteins, anions and the Hofmeister series

Mikael Lund, Pavel Jungwirth
(2008) Journal of Physics Condensed Matter, 20
Journal article

Specific ion binding to macromolecules : Effects of hydrophobicity and ion pairing

Mikael Lund, Robert Vácha, Pavel Jungwirth
(2008) Langmuir, 24 p.3387-3391
Journal article

Specific ion binding to nonpolar surface patches of proteins

Mikael Lund, Lubos Vrbka, Pavel Jungwirth
(2008) Journal of the American Chemical Society, 130 p.3-11582
Journal article

Ion specific protein assembly and hydrophobic surface forces

Mikael Lund, Pavel Jungwirth, Woodward Clifford
(2008) Physical Review Letters, 100
Journal article

FAUNUS: An object oriented framework for molecular simulation

Mikael Lund, Martin Trulsson, Björn Persson
(2008) Source Code for Biology and Medicine, 3
Journal article

Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments

Barbara Jagoda-Cwiklik, Robert Vácha, Mikael Lund, Monika Srebro, Pavel Jungwirth
(2007) Journal of Physical Chemistry B, 111 p.14077-14079
Journal article

Electrostatics in macromolecular solutions

Bo Jönsson, Mikael Lund, Fernando L. Barroso da Silva
(2007) Food Colloids: Self-Assembly and Material Science, 302 p.129-154
Conference paper

Coarse graining biomolecular systems

Mikael Lund
(2007) Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 4699 LNCS p.73-81
Conference paper

Implications of a high dielectric constant in proteins

Mikael Lund, Bo Jönsson, Clifford Woodward
(2007) Journal of Chemical Physics, 126
Journal article

Electrostatic Interactions In and Between Biomolecules

Mikael Lund
(2006)
Dissertation

On the complexation of proteins and polyelectrolytes

FLB da Silva, Mikael Lund, Bo Jönsson, Torbjörn Åkesson
(2006) The Journal of Physical Chemistry Part B, 110 p.4459-4464
Journal article

Driving forces behind ion-ion correlations

Mikael Lund, Bo Jönsson
(2006) Journal of Chemical Physics, 125
Journal article

Enhanced protein adsorption due to charge regulation

Mikael Lund, Torbjörn Åkesson, Bo Jönsson
(2005) Langmuir, 21 p.8385-8388
Journal article

On the charge regulation of proteins

Mikael Lund, Bo Jönsson
(2005) Biochemistry, 44 p.5722-5727
Journal article

A Mesoscopic Model for Protein-Protein Interactions in Solution

Mikael Lund, Bo Jönsson
(2003) Biophysical Journal, 85 p.2940-2947
Journal article

Activity coefficients in sea water using monte carlo simulations.

Mikael Lund, Bo Jönsson, T Pedersen
(2003) Marine Chemistry, 80 p.95-101
Journal article

Fluxes of ammonia in the marine coastal boundary layer.

L L Sorensen, O Hertel, C A Skjoth, Mikael Lund, B Pedersen
(2003) Atmospheric Environment, 37 p.167-177
Journal article