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Erik Lindahl
Erik Lindahl
Professor of Biophysics, Linköping University
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
SoftwareX 1, 19-25, 2015
205782015
GROMACS: fast, flexible, and free
D Van Der Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, ...
Journal of computational chemistry 26 (16), 1701-1718, 2005
184232005
GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation
B Hess, C Kutzner, D Van Der Spoel, E Lindahl
Journal of chemical theory and computation 4 (3), 435-447, 2008
171702008
GROMACS 3.0: a package for molecular simulation and trajectory analysis
E Lindahl, B Hess, D Van Der Spoel
Molecular modeling annual 7, 306-317, 2001
80712001
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ...
Bioinformatics 29 (7), 845-854, 2013
77622013
New tools for automated high-resolution cryo-EM structure determination in RELION-3
J Zivanov, T Nakane, BO Forsberg, D Kimanius, WJH Hagen, E Lindahl, ...
elife 7, e42166, 2018
43952018
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Solving Software Challenges for Exascale: International Conference on …, 2015
1262*2015
Implementation of the CHARMM force field in GROMACS: analysis of protein stability effects from correction maps, virtual interaction sites, and water models
P Bjelkmar, P Larsson, MA Cuendet, B Hess, E Lindahl
Journal of chemical theory and computation 6 (2), 459-466, 2010
11732010
Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2
D Kimanius, BO Forsberg, SHW Scheres, E Lindahl
elife 5, e18722, 2016
10142016
GROMACS user manual version 3.2
D van der Spoel, E Lindahl, B Hess, AR Van Buuren, E Apol, ...
Nijenborgh 4, 9747, 2004
9072004
Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
E Lindahl, O Edholm
Biophysical journal 79 (1), 426-433, 2000
7402000
Molecular dynamics simulations of phospholipid bilayers with cholesterol
C Hofsäß, E Lindahl, O Edholm
Biophysical journal 84 (4), 2192-2206, 2003
6172003
the GROMACS development team
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
GROMACS user manual version 5 (4), 2016
615*2016
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
5332020
Characterisation of molecular motions in cryo-EM single-particle data by multi-body refinement in RELION
T Nakane, D Kimanius, E Lindahl, SHW Scheres
elife 7, e36861, 2018
4672018
Molecular recognition of a single sphingolipid species by a protein’s transmembrane domain
FX Contreras, AM Ernst, P Haberkant, P Björkholm, E Lindahl, B Gönen, ...
Nature 481 (7382), 525-529, 2012
4002012
Membrane proteins: molecular dynamics simulations
E Lindahl, MSP Sansom
Current opinion in structural biology 18 (4), 425-431, 2008
3772008
NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis
E Lindahl, C Azuara, P Koehl, M Delarue
Nucleic acids research 34 (suppl_2), W52-W56, 2006
3772006
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX. 1–2 (2015) 19–25
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
3742015
Simulation of the spontaneous aggregation of phospholipids into bilayers
SJ Marrink, E Lindahl, O Edholm, AE Mark
Journal of the American Chemical Society 123 (35), 8638-8639, 2001
3642001
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Artikelen 1–20