| 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 | 7614 | 2013 |
| 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 | 1130 | 2010 |
| the GROMACS development team MJ Abraham, D Van Der Spoel, E Lindahl, B Hess GROMACS user manual version 5 (4), 2016 | 596* | 2016 |
| Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media D Van Der Spoel, PJ Van Maaren, P Larsson, N Tîmneanu The Journal of Physical Chemistry B 110 (9), 4393-4398, 2006 | 508 | 2006 |
| Computational prediction of drug solubility in water-based systems: Qualitative and quantitative approaches used in the current drug discovery and development setting CAS Bergström, P Larsson International journal of pharmaceutics 540 (1-2), 185-193, 2018 | 231 | 2018 |
| Using multiple templates to improve quality of homology models in automated homology modeling P Larsson, B Wallner, E Lindahl, A Elofsson Protein Science 17 (6), 990-1002, 2008 | 194 | 2008 |
| Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning S Hossain, A Kabedev, A Parrow, CAS Bergström, P Larsson European Journal of Pharmaceutics and Biopharmaceutics 137, 46-55, 2019 | 97 | 2019 |
| Lipid Tail Protrusion in Simulations Predicts Fusogenic Activity of Influenza Fusion Peptide Mutants and Conformational Models P Larsson, PM Kasson PLOS Computational Biology 9 (3), e1002950, 2013 | 95 | 2013 |
| Mechanism-based selection of stabilization strategy for amorphous formulations: Insights into crystallization pathways K Edueng, D Mahlin, P Larsson, CAS Bergström Journal of Controlled Release 256, 193-202, 2017 | 82 | 2017 |
| Assessment of global and local model quality in CASP8 using Pcons and ProQ P Larsson, MJ Skwark, B Wallner, A Elofsson Proteins: Structure, Function, and Bioinformatics 77 (S9), 167-172, 2009 | 80 | 2009 |
| Pcons. net: protein structure prediction meta server B Wallner, P Larsson, A Elofsson Nucleic acids research 35 (suppl_2), W369-W374, 2007 | 77 | 2007 |
| Copernicus: A new paradigm for parallel adaptive molecular dynamics S Pronk, GR Bowman, B Hess, P Larsson, IS Haque, VS Pande, I Pouya, ... High Performance Computing, Networking, Storage and Analysis (SC), 2011 …, 2011 | 73 | 2011 |
| Structure of the Neisserial Outer Membrane Protein Opa60: Loop Flexibility Essential to Receptor Recognition and Bacterial Engulfment DA Fox, P Larsson, RH Lo, BM Kroncke, PM Kasson, L Columbus Journal of the American Chemical Society 136 (28), 9938-9946, 2014 | 68 | 2014 |
| Gromacs user manual E Apol, R Apostolov, HJ Berendsen, A Van Buuren, P Bjelkmar, ... Royal Institute of Technology and Uppsala University, Sweden, 1991 | 63 | 1991 |
| Characterization of solubilizing nanoaggregates present in different versions of simulated intestinal fluid AJ Clulow, A Parrow, A Hawley, J Khan, AC Pham, P Larsson, ... The Journal of Physical Chemistry B 121 (48), 10869-10881, 2017 | 61 | 2017 |
| Ebolavirus entry requires a compact hydrophobic fist at the tip of the fusion loop SM Gregory, P Larsson, EA Nelson, PM Kasson, JM White, LK Tamm Journal of virology 88 (12), 6636-6649, 2014 | 58 | 2014 |
| Algorithm improvements for molecular dynamics simulations P Larsson, B Hess, E Lindahl Wiley interdisciplinary reviews: computational molecular science 1 (1), 93-108, 2011 | 51 | 2011 |
| Aggregation behavior of medium chain fatty acids studied by coarse-grained molecular dynamics simulation MS Hossain, S Berg, CAS Bergström, P Larsson AAPS PharmSciTech 20, 1-8, 2019 | 42 | 2019 |
| Influence of bile composition on membrane incorporation of transient permeability enhancers S Hossain, P Joyce, A Parrow, S Jõemetsa, F Höök, P Larsson, ... Molecular pharmaceutics 17 (11), 4226-4240, 2020 | 36 | 2020 |
| GROMACS user manual version 4.5. 4 E Apol, R Apostolov, H Berendsen, A Van Buuren, P Bjelkmar, ... Royal Institute of Technology and Uppsala University, Stockholm, 2010 | 34 | 2010 |
