| 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 | 6623 | 2015 |
| 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 | 5275 | 2013 |
| GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX. 2015; 1–2: 19–25 MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl J. SOFTX 1, 2015 | 222 | 2015 |
| Common processes drive the thermochemical pretreatment of lignocellulosic biomass P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ... Green Chemistry 16 (1), 63-68, 2014 | 158 | 2014 |
| Mechanism of lignin inhibition of enzymatic biomass deconstruction JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith Biotechnology for biofuels 8 (1), 1-16, 2015 | 135 | 2015 |
| Scaling of multimillion-atom biological molecular dynamics simulation on a petascale supercomputer R Schulz, B Lindner, L Petridis, JC Smith Journal of Chemical Theory and Computation 5 (10), 2798-2808, 2009 | 108 | 2009 |
| Simulation analysis of the temperature dependence of lignin structure and dynamics L Petridis, R Schulz, JC Smith Journal of the American Chemical Society 133 (50), 20277-20287, 2011 | 102 | 2011 |
| SoftwareX 1-2, 19 (2015) MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl | 102 | |
| Pá ll S, Smith JC, Hess B, et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX. 2015; 1: 19–25 MJ Abraham, T Murtola, R Schulz | 88 | |
| Task‐parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high‐performance super‐computers B Collignon, R Schulz, JC Smith, J Baudry Journal of computational Chemistry 32 (6), 1202-1209, 2011 | 57 | 2011 |
| Hydration control of the mechanical and dynamical properties of cellulose L Petridis, HM O’Neill, M Johnsen, B Fan, R Schulz, E Mamontov, ... Biomacromolecules 15 (11), 4152-4159, 2014 | 37 | 2014 |
| Solvent-driven preferential association of lignin with regions of crystalline cellulose in molecular dynamics simulation B Lindner, L Petridis, R Schulz, JC Smith Biomacromolecules 14 (10), 3390-3398, 2013 | 35 | 2013 |
| Initial recognition of a cellodextrin chain in the cellulose-binding tunnel may affect cellobiohydrolase directional specificity PK GhattyVenkataKrishna, EM Alekozai, GT Beckham, R Schulz, ... Biophysical journal 104 (4), 904-912, 2013 | 32 | 2013 |
| Bacillus subtilis Lipid Extract, A Branched-Chain Fatty Acid Model Membrane JD Nickels, S Chatterjee, B Mostofian, CB Stanley, M Ohl, P Zolnierczuk, ... The journal of physical chemistry letters 8 (17), 4214-4217, 2017 | 20 | 2017 |
| Instantaneous normal modes and the protein glass transition R Schulz, M Krishnan, I Daidone, JC Smith Biophysical Journal 96 (2), 476-484, 2009 | 16 | 2009 |
| Enabling grand‐canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module R Pool, J Heringa, M Hoefling, R Schulz, JC Smith, KA Feenstra Journal of computational chemistry 33 (12), 1207-1214, 2012 | 10 | 2012 |
| Data Parallel C++ Enhancing SYCL Through Extensions for Productivity and Performance B Ashbaugh, A Bader, J Brodman, J Hammond, M Kinsner, J Pennycook, ... Proceedings of the International Workshop on OpenCL, 1-2, 2020 | 4 | 2020 |
| HESS phase-I observations of the plane of the Milky Way E1 T Forveille, S Campana, S Shore, E Fossat, FX Schmider, G Kovacs, ... Astronomy & Astrophysics 612, 2018 | 2 | 2018 |
| Protein Dynamical Transition: Role of Methyl Dynamics and Local Diffusion M Krishnan, R Schulz, JC Smith AIP Conference Proceedings 1102 (1), 122-131, 2009 | 1 | 2009 |
| Methods and systems for executing vectorized pythagorean tuple instructions R Schulz, JR Hammond, J Corbal US Patent App. 15/721,842, 2019 | | 2019 |
Erik LindahlProfessor of Biophysics, Science for Life Laboratory, Stockholm UniversityVerified email at scilifelab.se
