| 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 | 19261 | 2015 |
| 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 | 17057 | 2005 |
| 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 | 16962 | 2008 |
| 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 | 7993 | 2001 |
| 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 | 7603 | 2013 |
| 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 | 4241 | 2018 |
| GROMACS: fast, flexible, and free DVD Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, HJC Berendsen J Comput Chem 26 (16), 1701-1718, 2005 | 1944 | 2005 |
| 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 | 1132 | 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 | 1126 | 2010 |
| Accelerated cryo-EM structure determination with parallelisation using GPUs in RELION-2 D Kimanius, BO Forsberg, SHW Scheres, E Lindahl elife 5, e18722, 2016 | 1000 | 2016 |
| GROMACS user manual version 3.2 D van der Spoel, E Lindahl, B Hess, AR Van Buuren, E Apol, ... Nijenborgh 4, 9747, 2004 | 903 | 2004 |
| Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations E Lindahl, O Edholm Biophysical journal 79 (1), 426-433, 2000 | 738 | 2000 |
| Molecular dynamics simulations of phospholipid bilayers with cholesterol C Hofsäß, E Lindahl, O Edholm Biophysical journal 84 (4), 2192-2206, 2003 | 619 | 2003 |
| the GROMACS development team MJ Abraham, D Van Der Spoel, E Lindahl, B Hess GROMACS user manual version 5 (4), 2016 | 595* | 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 | 479 | 2020 |
| 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 | 453 | 2018 |
| 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 | 404 | 2012 |
| Membrane proteins: molecular dynamics simulations E Lindahl, MSP Sansom Current opinion in structural biology 18 (4), 425-431, 2008 | 378 | 2008 |
| 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 | 374 | 2006 |
| 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 | 362 | 2001 |
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, Sweden在 scilifelab.se 的电子邮件经过验证
