• case-insensitive prefix search: default
  e.g., sig matches "SIGIR" as well as "signal"
• exact word search: append dollar sign ($) to word
  e.g., graph$ matches "graph", but not "graphics"
• boolean and: separate words by space
  e.g., codd model
• boolean or: connect words by pipe symbol (|)
  e.g., graph|network

Update May 7, 2017: Please note that we had to disable the phrase search operator (.) and the boolean not operator (-) due to technical problems. For the time being, phrase search queries will yield regular prefix search result, and search terms preceded by a minus will be interpreted as regular (positive) search terms.

found 45 matches

• 2024
• 
  Magnus Lundborg, Christian Wennberg, Erik Lindahl, Lars Norlén:
  Simulating the Skin Permeation Process of Ionizable Molecules. J. Chem. Inf. Model. 64(13): 5295-5302 (2024)
• 
  Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Yuedong Zhang, Emanuele Vitali, Bruno Guindani, Danilo Ardagna, Cristina Silvano, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Akash Deep Biswas, Jan Martinovic, Martin Golasowski, Paulo Silva, Ada Böhm, Jakub Beránek, Jan Krenek, Branislav Jansik, Peter Thoman, Philip Salzmann, Thomas Fahringer, Torsten Schwede, Leila Tamara Alexander, Gerardo Tauriello, Janani Durairaj, Biagio Cosenza, Luigi Crisci, Andrew Emerson, Federico Ficarelli, Erik Lindahl, Sebastian Wingbermühle, Daniele Gregori, Silvano Coletti, Emanuele Sana, Philipp Gschwandtner:
  LIGATE - LIgand Generator and portable drug discovery platform AT Exascale. CF (Companion) 2024
• 
  Andrey Alekseenko, Szilárd Páll, Erik Lindahl:
  GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability. CoRR abs/2405.01420 (2024)
• 2023
• 
  Christian Wennberg, Magnus Lundborg, Erik Lindahl, Lars Norlén:
  Understanding Drug Skin Permeation Enhancers Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 63(15): 4900-4911 (2023)
• 
  Christian Blau, Linnea Yvonnesdotter, Erik Lindahl:
  Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach. PLoS Comput. Biol. 19(7) (2023)
• 
  Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Biagio Cosenza, Luigi Crisci, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermühle, Erik Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner:
  Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. CF 2023: 272-278
• 
  Gianluca Palermo, Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Cristina Silvano, Bruno Guindani, Danilo Ardagna, Andrea Rosario Beccari, Domenico Bonanni, Carmine Talarico, Filippo Lunghini, Jan Martinovic, Paulo Silva, Ada Bohm, Jakub Beránek, Jan Krenek, Branislav Jansik, Luigi Crisci, Biagio Cosenza, Peter Thoman, Philip Salzmann, Thomas Fahringer, Leila T. Alexander, Gerardo Tauriello, Torsten Schwede, Janani Durairaj, Andrew Emerson, Federico Ficarelli, Sebastian Wingbermühle, Erik Lindahl, Daniele Gregori, Emanuele Sana, Silvano Coletti, Philipp Gschwandtner:
  Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. CoRR abs/2304.09953 (2023)
• 2021
• 
  Andrey Alekseenko, Szilárd Páll, Erik Lindahl:
  Experiences With Adding SYCL Support to GROMACS. IWOCL 2021: 17:1
• 2020
• 
  Szilárd Páll, Artem A. Zhmurov, Paul Bauer, Mark James Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl:
  Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS. CoRR abs/2006.09167 (2020)
• 2019
• 
  Laura Orellana, Johan Gustavsson, Cathrine Bergh, Ozge Yoluk, Erik Lindahl:
  eBDIMS server: protein transition pathways with ensemble analysis in 2D-motion spaces. Bioinform. 35(18): 3505-3507 (2019)
• 
  Mark James Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M. J. J. Bonvin, Matthieu Chavent, John D. Chodera, Karmen Condic-Jurkic, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K. S. Tiemann, Mikaël Trellet, Christopher J. Woods, Artem A. Zhmurov:
  Sharing Data from Molecular Simulations. J. Chem. Inf. Model. 59(10): 4093-4099 (2019)
• 
  Bjørn-Olav H. Eriksen, Morten Breivik, Erik Falmar Wilthil, Andreas Lindahl Flåten, Edmund Førland Brekke:
  The branching-course model predictive control algorithm for maritime collision avoidance. J. Field Robotics 36(7): 1222-1249 (2019)
• 
  Arne Elofsson, Berk Hess, Erik Lindahl, Alexey Onufriev, David van der Spoel, Anders Wallqvist:
  Ten simple rules on how to create open access and reproducible molecular simulations of biological systems. PLoS Comput. Biol. 15(1) (2019)
• 
  Erwin Laure, Olivia Eriksson, Erik Lindahl, Dan S. Henningson:
  The Future of Swedish e-Science: SeRC 2.0. eScience 2019: 413-420
• 
  Natalya Pya Arnqvist, Blaise Ngendangenzwa, Erik Lindahl, Leif Nilsson, Jun Yu:
  Effective degrees of freedom for surface finish defect detection and classification. CoRR abs/1906.11904 (2019)
• 
  Bjørn-Olav H. Eriksen, Morten Breivik, Erik Falmar Wilthil, Andreas Lindahl Flåten, Edmund Førland Brekke:
  The Branching-Course MPC Algorithm for Maritime Collision Avoidance. CoRR abs/1907.00039 (2019)
• 2018
• 
  Olivia Eriksson, Erwin Laure, Erik Lindahl, Dan S. Henningson, Anders Ynnerman:
  e-Science in Scandinavia - The Case of the Swedish e-Science Research Center. Inform. Spektrum 41(6): 398-404 (2018)
• 
  Biornar R. Dalsnes, Simen Hexeberg, Andreas Lindahl Flaten, Bjorn-Olav H. Eriksen, Edmund Førland Brekke:
  The Neighbor Course Distribution Method with Gaussian Mixture Models for AIS-Based Vessel Trajectory Prediction. FUSION 2018: 580-587
• 2017
• 
  Iman Pouya, Sander Pronk, Magnus Lundborg, Erik Lindahl:
  Copernicus, a hybrid dataflow and peer-to-peer scientific computing platform for efficient large-scale ensemble sampling. Future Gener. Comput. Syst. 71: 18-31 (2017)
• 
  Simen Hexeberg, Andreas Lindahl Flaten, Bjorn-Olav H. Eriksen, Edmund Førland Brekke:
  AIS-based vessel trajectory prediction. FUSION 2017: 1-8
• 2016
• 
  Samira Yazdi, Matthias Stein, Fredrik Elinder, Magnus Andersson, Erik Lindahl:
  The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium Channel. PLoS Comput. Biol. 12(1) (2016)
• 2015
• 
  Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl:
  Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. CoRR abs/1506.00716 (2015)
• 2014
• 
  Magnus Lundborg, Rossen Apostolov, Daniel Spångberg, Anders Gärdenäs, David van der Spoel, Erik Lindahl:
  An efficient and extensible format, library, and API for binary trajectory data from molecular simulations. J. Comput. Chem. 35(3): 260-269 (2014)
• 
  Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl:
  Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. EASC 2014: 3-27
• 2013
• 
  Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar, Rossen Apostolov, Michael R. Shirts, Jeremy C. Smith, Peter M. Kasson, David van der Spoel, Berk Hess, Erik Lindahl:
  GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinform. 29(7): 845-854 (2013)
• 2012
• 
  Arjun Ray, Erik Lindahl, Björn Wallner:
  Improved model quality assessment using ProQ2. BMC Bioinform. 13: 224 (2012)
• 
  Samuel Murail, Rebecca J. Howard, Torben Broemstrup, Edward J. Bertaccini, R. Adron Harris, James R. Trudell, Erik Lindahl:
  Molecular Mechanism for the Dual Alcohol Modulation of Cys-loop Receptors. PLoS Comput. Biol. 8(10) (2012)
• 
  J. A. Åström, Adam C. Carter, James Hetherington, K. Ioakimidis, Erik Lindahl, G. Mozdzynski, Rupert W. Nash, Philipp Schlatter, Artur Signell, Jan Westerholm:
  Preparing Scientific Application Software for Exascale Computing. PARA 2012: 27-42
• 2011
• 
  Szilárd Páll, Berk Hess, Erik Lindahl:
  Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures. SC Companion 2011: 71-72
• 
  Sander Pronk, Per Larsson, Iman Pouya, Gregory R. Bowman, Imran S. Haque, Kyle Beauchamp, Berk Hess, Vijay S. Pande, Peter M. Kasson, Erik Lindahl:
  Copernicus: a new paradigm for parallel adaptive molecular dynamics. SC 2011: 60:1-60:10

skipping 15 more matches