| 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 | 634 | 2021 |
| Computational modeling of realistic cell membranes SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson, DP Tieleman, ... Chemical reviews 119 (9), 6184-6226, 2019 | 562 | 2019 |
| Enhancing molecular n‐type doping of donor–acceptor copolymers by tailoring side chains J Liu, L Qiu, R Alessandri, X Qiu, G Portale, JJ Dong, W Talsma, G Ye, ... Advanced Materials 30 (7), 1704630, 2018 | 265 | 2018 |
| Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists MV Liberato, AS Nascimento, SD Ayers, JZ Lin, A Cvoro, RL Silveira, ... PloS one 7 (5), e36297, 2012 | 214 | 2012 |
| Pitfalls of the Martini Model R Alessandri, PCT Souza, S Thallmair, MN Melo, AH de Vries, SJ Marrink Journal of Chemical Theory and Computation 15 (10), 5448-5460, 2019 | 183 | 2019 |
| CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides PC Hsu, BMH Bruininks, D Jefferies, P Cesar Telles de Souza, J Lee, ... Journal of computational chemistry 38 (27), 2354-2363, 2017 | 161 | 2017 |
| Protein–ligand binding with the coarse-grained Martini model PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ... Nature communications 11 (1), 3714, 2020 | 148 | 2020 |
| GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain AA Amato, S Rajagopalan, JZ Lin, BM Carvalho, ACM Figueira, J Lu, ... Journal of Biological Chemistry 287 (33), 28169-28179, 2012 | 140 | 2012 |
| Molecular mechanism of peroxisome proliferator-activated receptor α activation by WY14643: a new mode of ligand recognition and receptor stabilization A Bernardes, PCT Souza, JRC Muniz, CG Ricci, SD Ayers, NM Parekh, ... Journal of molecular biology 425 (16), 2878-2893, 2013 | 110 | 2013 |
| Two decades of Martini: Better beads, broader scope SJ Marrink, L Monticelli, MN Melo, R Alessandri, DP Tieleman, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (1), e1620, 2023 | 92 | 2023 |
| Bottom-up fabrication of a proteasome–nanopore that unravels and processes single proteins S Zhang, G Huang, RCA Versloot, BMH Bruininks, PCT de Souza, ... Nature chemistry 13 (12), 1192-1199, 2021 | 83 | 2021 |
| Martini 3 coarse‐grained force field: small molecules R Alessandri, J Barnoud, AS Gertsen, I Patmanidis, AH de Vries, ... Advanced Theory and Simulations 5 (1), 2100391, 2022 | 81 | 2022 |
| Structure of the human signal peptidase complex reveals the determinants for signal peptide cleavage AM Liaci, B Steigenberger, PCT de Souza, S Tamara, M Gröllers-Mulderij, ... Molecular cell 81 (19), 3934-3948. e11, 2021 | 65 | 2021 |
| High performance collision cross section calculation—HPCCS L Zanotto, G Heerdt, PCT Souza, G Araujo, MS Skaf Journal of computational chemistry 39 (21), 1675-1681, 2018 | 65 | 2018 |
| Titratable Martini model for constant pH simulations F Grünewald, PCT Souza, H Abdizadeh, J Barnoud, AH de Vries, ... The Journal of chemical physics 153 (2), 2020 | 62 | 2020 |
| Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange ACM Figueira, DM Saidemberg, PCT Souza, L Martínez, TS Scanlan, ... Molecular Endocrinology 25 (1), 15-31, 2011 | 58 | 2011 |
| Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials F Grünewald, R Alessandri, PC Kroon, L Monticelli, PCT Souza, ... Nature communications 13 (1), 68, 2022 | 56 | 2022 |
| Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid-liquid extraction LI Vazquez-Salazar, M Selle, AH De Vries, SJ Marrink, PCT Souza Green Chemistry, 2020 | 54 | 2020 |
| A molecular view on the escape of lipoplexed DNA from the endosome BMH Bruininks, PCT Souza, H Ingolfsson, SJ Marrink Elife 9, e52012, 2020 | 53 | 2020 |
| A practical view of the martini force field BMH Bruininks, PCT Souza, SJ Marrink Biomolecular Simulations: Methods and Protocols, 105-127, 2019 | 53* | 2019 |
Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenVerified email at rug.nl
