Improved parameters for the martini coarse-grained protein force field DH De Jong, G Singh, WFD Bennett, C Arnarez, TA Wassenaar, ... Journal of chemical theory and computation 9 (1), 687-697, 2013 | 1438 | 2013 |
Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations TA Wassenaar, HI Ingólfsson, RA Bockmann, DP Tieleman, SJ Marrink Journal of chemical theory and computation 11 (5), 2144-2155, 2015 | 1052 | 2015 |
Lipid organization of the plasma membrane HI Ingólfsson, MN Melo, FJ Van Eerden, C Arnarez, CA Lopez, ... Journal of the american chemical society 136 (41), 14554-14559, 2014 | 934 | 2014 |
Martini 3: a general purpose force field for coarse-grained molecular dynamics PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ... Nature methods 18 (4), 382-388, 2021 | 843 | 2021 |
Going backward: a flexible geometric approach to reverse transformation from coarse grained to atomistic models TA Wassenaar, K Pluhackova, RA Bockmann, SJ Marrink, DP Tieleman Journal of chemical theory and computation 10 (2), 676-690, 2014 | 693 | 2014 |
HADDOCK versus HADDOCK: new features and performance of HADDOCK2. 0 on the CAPRI targets SJ De Vries, ADJ Van Dijk, M Krzeminski, M van Dijk, A Thureau, V Hsu, ... Proteins: structure, function, and bioinformatics 69 (4), 726-733, 2007 | 676 | 2007 |
Lipid–protein interactions are unique fingerprints for membrane proteins V Corradi, E Mendez-Villuendas, HI Ingólfsson, RX Gu, I Siuda, MN Melo, ... ACS central science 4 (6), 709-717, 2018 | 303 | 2018 |
WeNMR: structural biology on the grid TA Wassenaar, M Van Dijk, N Loureiro-Ferreira, G Van Der Schot, ... Journal of Grid Computing 10, 743-767, 2012 | 210 | 2012 |
Mixing MARTINI: electrostatic coupling in hybrid atomistic–coarse-grained biomolecular simulations TA Wassenaar, HI Ingólfsson, M Prieß, SJ Marrink, LV Schäfer The Journal of Physical Chemistry B 117 (13), 3516-3530, 2013 | 178 | 2013 |
LION/web: a web-based ontology enrichment tool for lipidomic data analysis MR Molenaar, A Jeucken, TA Wassenaar, CHA van de Lest, JF Brouwers, ... Gigascience 8 (6), giz061, 2019 | 177 | 2019 |
Characterization of thylakoid lipid membranes from cyanobacteria and higher plants by molecular dynamics simulations FJ van Eerden, DH de Jong, AH de Vries, TA Wassenaar, SJ Marrink Biochimica et Biophysica Acta (BBA)-Biomembranes 1848 (6), 1319-1330, 2015 | 155 | 2015 |
High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach TA Wassenaar, K Pluhackova, A Moussatova, D Sengupta, SJ Marrink, ... Journal of chemical theory and computation 11 (5), 2278-2291, 2015 | 122 | 2015 |
Backmapping triangulated surfaces to coarse-grained membrane models W Pezeshkian, M König, TA Wassenaar, SJ Marrink Nature communications 11 (1), 2296, 2020 | 116 | 2020 |
Dynamic cholesterol-conditioned dimerization of the G protein coupled chemokine receptor type 4 K Pluhackova, S Gahbauer, F Kranz, TA Wassenaar, RA Böckmann PLoS computational biology 12 (11), e1005169, 2016 | 91 | 2016 |
Activation of the bacterial thermosensor DesK involves a serine zipper dimerization motif that is modulated by bilayer thickness LE Cybulski, J Ballering, A Moussatova, ME Inda, DB Vazquez, ... Proceedings of the National Academy of Sciences 112 (20), 6353-6358, 2015 | 70 | 2015 |
Nucleobase-functionalized graphene nanoribbons for accurate high-speed DNA sequencing E Paulechka, TA Wassenaar, K Kroenlein, A Kazakov, A Smolyanitsky Nanoscale 8 (4), 1861-1867, 2016 | 63 | 2016 |
Martinize2 and vermouth: Unified framework for topology generation PC Kroon, F Grünewald, J Barnoud, M van Tilburg, PCT Souza, ... arXiv preprint arXiv:2212.01191, 2022 | 61 | 2022 |
X-ray structure, thermodynamics, elastic properties and MD simulations of cardiolipin/dimyristoylphosphatidylcholine mixed membranes AL Boscia, BW Treece, D Mohammadyani, J Klein-Seetharaman, ... Chemistry and Physics of Lipids 178, 1-10, 2014 | 53 | 2014 |
A MoS2-Based Capacitive Displacement Sensor for DNA Sequencing A Smolyanitsky, BI Yakobson, TA Wassenaar, E Paulechka, K Kroenlein ACS nano 10 (9), 9009-9016, 2016 | 52 | 2016 |
Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling W Pezeshkian, F Grünewald, O Narykov, S Lu, V Arkhipova, ... Structure 31 (4), 492-503. e7, 2023 | 47 | 2023 |