| Molecular anatomy of a trafficking organelle S Takamori, M Holt, K Stenius, EA Lemke, M Grønborg, D Riedel, ... Cell 127 (4), 831-846, 2006 | 2667 | 2006 |
| g_wham - A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates JS Hub, BL De Groot, D Van Der Spoel Journal of Chemical Theory and Computation 6 (12), 3713-3720, 2010 | 1594 | 2010 |
| Force field benchmark of organic liquids: density, enthalpy of vaporization, heat capacities, surface tension, isothermal compressibility, volumetric expansion coefficient, and … C Caleman, PJ Van Maaren, M Hong, JS Hub, LT Costa, D Van Der Spoel Journal of chemical theory and computation 8 (1), 61-74, 2012 | 826 | 2012 |
| Mechanism of selectivity in aquaporins and aquaglyceroporins JS Hub, BL De Groot Proceedings of the National Academy of Sciences 105 (4), 1198-1203, 2008 | 485 | 2008 |
| Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge JS Hub, BL de Groot, H Grubmüller, G Groenhof Journal of Chemical Theory and Computation 10 (1), 381-390, 2014 | 257 | 2014 |
| Atomistic simulation of ion solvation in water explains surface preference of halides C Caleman, JS Hub, PJ van Maaren, D van der Spoel Proceedings of the National Academy of Sciences 108 (17), 6838-6842, 2011 | 252 | 2011 |
| Large influence of cholesterol on solute partitioning into lipid membranes CL Wennberg, D Van Der Spoel, JS Hub Journal of the American Chemical Society 134 (11), 5351-5361, 2012 | 189 | 2012 |
| WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics CJ Knight, JS Hub Nucleic Acids Research 43 (W1), W225-W230, 2015 | 188 | 2015 |
| Detection of functional modes in protein dynamics JS Hub, BL De Groot PLoS Computational Biology 5 (8), e1000480, 2009 | 181 | 2009 |
| Does CO2 Permeate through Aquaporin-1? JS Hub, BL de Groot Biophysical journal 91 (3), 842-848, 2006 | 168 | 2006 |
| Validating solution ensembles from molecular dynamics simulation by wide-angle X-ray scattering data P Chen, JS Hub Biophysical Journal 107 (2), 435-447, 2014 | 165 | 2014 |
| Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? JS Hub, H Grubmüller, BL de Groot Aquaporins, 57-76, 2009 | 134 | 2009 |
| Interpretation of solution x-ray scattering by explicit-solvent molecular dynamics P Chen, JS Hub Biophysical Journal 108 (10), 2573-2584, 2015 | 114 | 2015 |
| Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes JS Hub, FK Winkler, M Merrick, BL de Groot Journal of the American Chemical Society 132 (38), 13251-13263, 2010 | 112 | 2010 |
| Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, x-ray, and neutron scattering experiments JS Hub, T Salditt, MC Rheinstädter, BL De Groot Biophysical Journal 93 (9), 3156-3168, 2007 | 101 | 2007 |
| Interpreting solution X-ray scattering data using molecular simulations JS Hub Current Opinion in Structural Biology 49, 18-26, 2018 | 100 | 2018 |
| Local partition coefficients govern solute permeability of cholesterol-containing membranes F Zocher, D van der Spoel, P Pohl, JS Hub Biophysical Journal 105 (12), 2760-2770, 2013 | 89 | 2013 |
| MemGen: A general web server for the setup of lipid membrane simulation systems CJ Knight, JS Hub Bioinformatics 31 (17), 2897-2899, 2015 | 87 | 2015 |
| Voltage-regulated water flux through aquaporin channels in silico JS Hub, C Aponte-Santamaría, H Grubmüller, BL de Groot Biophysical journal 99 (12), L97-L99, 2010 | 85 | 2010 |
| CO2 and O2 Distribution in Rubisco Suggests the Small Subunit Functions as a CO2 Reservoir M Van Lun, JS Hub, D van der Spoel, I Andersson Journal of the American Chemical Society 136 (8), 3165-3171, 2014 | 80 | 2014 |
Bert L. de GrootMax Planck Institute for multidisciplinary sciencesVerified email at gwdg.de
