Biomolecular modeling: goals, problems, perspectives WF van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ... Angewandte Chemie International Edition 45 (25), 4064-4092, 2006 | 748 | 2006 |
Validation of the 53A6 GROMOS force field C Oostenbrink, TA Soares, NFA van der Vegt, WF Van Gunsteren European Biophysics Journal 34 (4), 273-284, 2005 | 561 | 2005 |
What is the Contact Angle of Water on Graphene? F Taherian, V Marcon, NFA van der Vegt, F Leroy Langmuir 29 (5), 1457-1465, 2013 | 545 | 2013 |
Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations VA Harmandaris, NP Adhikari, NFA van der Vegt, K Kremer Macromolecules 39 (19), 6708-6719, 2006 | 410 | 2006 |
Systematic coarse-graining methods for soft matter simulations–a review E Brini, EA Algaer, P Ganguly, C Li, F Rodríguez-Ropero, ... Soft Matter 9 (7), 2108-2119, 2013 | 395 | 2013 |
Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models B Hess, NFA van der Vegt The Journal of Physical Chemistry B 110 (35), 17616-17626, 2006 | 380 | 2006 |
Cation specific binding with protein surface charges B Hess, NFA van der Vegt Proceedings of the National Academy of Sciences 106 (32), 13296-13300, 2009 | 288 | 2009 |
Bicontinuous nanoporous polymers by carbon dioxide foaming B Krause, HJP Sijbesma, P Münüklü, NFA van der Vegt, M Wessling Macromolecules 34 (25), 8792-8801, 2001 | 260 | 2001 |
Microcellular foaming of amorphous high-T g polymers using carbon dioxide B Krause, R Mettinkhof, NFA van der Vegt, M Wessling Macromolecules 34 (4), 874-884, 2001 | 251 | 2001 |
Open nanoporous morphologies from polymeric blends by carbon dioxide foaming B Krause, K Diekmann, NFA van der Vegt, M Wessling Macromolecules 35 (5), 1738-1745, 2002 | 246 | 2002 |
Water-Mediated Ion Pairing: Occurrence and Relevance NFA van der Vegt, K Haldrup, S Roke, J Zheng, M Lund, HJ Bakker Chemical Reviews 116, 7626-7641, 2016 | 241 | 2016 |
Multiscale modeling of soft matter: scaling of dynamics D Fritz, K Koschke, VA Harmandaris, NFA van der Vegt, K Kremer Physical Chemistry Chemical Physics 13 (22), 10412-10420, 2011 | 210 | 2011 |
Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene VA Harmandaris, D Reith, NFA van der Vegt, K Kremer Macromolecular Chemistry and Physics 208 (19‐20), 2109-2120, 2007 | 203 | 2007 |
Ultralow‐k Dielectrics Made by Supercritical Foaming of Thin Polymer Films B Krause, GH Koops, NFA van der Vegt, M Wessling, M WüBBENHORST, ... Advanced materials 14 (15), 1041-1046, 2002 | 193 | 2002 |
Coarse-grained polymer melts based on isolated atomistic chains: Simulation of polystyrene of different tacticities D Fritz, VA Harmandaris, K Kremer, NFA van der Vegt Macromolecules 42 (19), 7579-7588, 2009 | 184 | 2009 |
Convergence of sampling Kirkwood-Buff integrals of aqueous solutions with molecular dynamics simulations P Ganguly, NFA van der Vegt Journal of Chemical Theory and Computation 9, 1347-1355, 2013 | 177 | 2013 |
Cation permeable membranes from blends of sulfonated poly (ether ether ketone) and poly (ether sulfone) FG Wilhelm, IGM Pünt, NFA van der Vegt, H Strathmann, M Wessling Journal of Membrane Science 199 (1), 167-176, 2002 | 176 | 2002 |
Osmotic coefficients of atomistic NaCl (aq) force fields B Hess, C Holm, N van der Vegt The Journal of Chemical Physics 124 (16), 164509, 2006 | 168 | 2006 |
Intermediate polymer to carbon gas separation membranes based on Matrimid PI JN Barsema, SD Klijnstra, JH Balster, NFA van der Vegt, GH Koops, ... Journal of Membrane Science 238 (1), 93-102, 2004 | 160 | 2004 |
Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonate B Hess, S León, N van der Vegt, K Kremer Soft Matter 2 (5), 409-414, 2006 | 157 | 2006 |