Erik Lindahl

Research interests

Publications

• Shared structural mechanisms of general anaesthetics and benzodiazepines

  Nature · 2020 · 10.1038/s41586-020-2654-5

• Characterisation of molecular motions in cryo-EM single-particle data by multi-body refinement in RELION

  eLife · 2018 · 10.7554/elife.36861

• New tools for automated high-resolution cryo-EM structure determination in RELION-3

  eLife · 2018 · 10.7554/elife.42166

• Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2

  eLife · 2016 · 10.7554/elife.18722

• Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation

  Journal of Chemical Theory and Computation · 2015 · https://doi.org/10.1021/acs.jctc.5b00726

• Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

  Lecture notes in computer science · 2015 · 10.1007/978-3-319-15976-8_1

• GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

  SoftwareX · 2015 · https://doi.org/10.1016/j.softx.2015.06.001

• GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

  Bioinformatics · 2013 · https://doi.org/10.1093/bioinformatics/btt055

• Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties

  Journal of Chemical Theory and Computation · 2013 · https://doi.org/10.1021/ct400140n

• Improved model quality assessment using ProQ2

  BMC Bioinformatics · 2012 · https://doi.org/10.1186/1471-2105-13-224

• An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations

  The Journal of General Physiology · 2012 · https://doi.org/10.1085/jgp.201210873

• Molecular recognition of a single sphingolipid species by a protein’s transmembrane domain

  Nature · 2012 · 10.1038/nature10742

• Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

  Journal of Chemical Theory and Computation · 2010 · 10.1021/ct900549r

• 3D Pressure Field in Lipid Membranes and Membrane-Protein Complexes

  Physical Review Letters · 2009 · https://doi.org/10.1103/physrevlett.102.078101

• Prediction of membrane-protein topology from first principles

  Proceedings of the National Academy of Sciences · 2008 · 10.1073/pnas.0711151105

• GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

  Journal of Chemical Theory and Computation · 2008 · https://doi.org/10.1021/ct700301q

• Membrane proteins: molecular dynamics simulations

  Current Opinion in Structural Biology · 2008 · 10.1016/j.sbi.2008.02.003

• NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis

  Nucleic Acids Research · 2006 · 10.1093/nar/gkl082

• GROMACS: Fast, flexible, and free

  Journal of Computational Chemistry · 2005 · https://doi.org/10.1002/jcc.20291

• Simulations of the role of water in the protein-folding mechanism

  Proceedings of the National Academy of Sciences · 2004 · https://doi.org/10.1073/pnas.0307898101

• Molecular Dynamics Simulations of Phospholipid Bilayers with Cholesterol

  Biophysical Journal · 2003 · 10.1016/s0006-3495(03)75025-5

• Simulation of the Spontaneous Aggregation of Phospholipids into Bilayers

  Journal of the American Chemical Society · 2001 · 10.1021/ja0159618

• GROMACS 3.0: a package for molecular simulation and trajectory analysis

  Journal of Molecular Modeling · 2001 · https://doi.org/10.1007/s008940100045

• Spatial and energetic-entropic decomposition of surface tension in lipid bilayers from molecular dynamics simulations

  The Journal of Chemical Physics · 2000 · 10.1063/1.1287423

• Mesoscopic Undulations and Thickness Fluctuations in Lipid Bilayers from Molecular Dynamics Simulations

  Biophysical Journal · 2000 · 10.1016/s0006-3495(00)76304-1

Current projects

No projects listed.