| Computational modeling of realistic cell membranes SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson, DP Tieleman, ... Chemical reviews 119 (9), 6184-6226, 2019 | 337 | 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 | 192 | 2018 |
| 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 | 180 | 2021 |
| 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 | 174 | 2012 |
| 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 | 115 | 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 | 113 | 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 | 103 | 2017 |
| 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 | 98 | 2013 |
| Protein–ligand binding with the coarse-grained Martini model PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ... Nature communications 11 (1), 1-11, 2020 | 77 | 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 | 51 | 2011 |
| Identification of a new hormone-binding site on the surface of thyroid hormone receptor PCT Souza, AC Puhl, L Martínez, R Aparício, AS Nascimento, ... Molecular Endocrinology 28 (4), 534-545, 2014 | 42 | 2014 |
| 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 | 41 | 2018 |
| A practical view of the martini force field BMH Bruininks, PCT Souza, SJ Marrink Biomolecular Simulations, 105-127, 2019 | 34* | 2019 |
| An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position PCT Souza, LC Textor, DC Melo, AS Nascimento, MS Skaf, I Polikarpov Scientific reports 7 (1), 1-11, 2017 | 33 | 2017 |
| 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 | 30* | 2021 |
| 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), 024118, 2020 | 30 | 2020 |
| Isomeric separation of cannabinoids by UPLC combined with ionic mobility mass spectrometry (TWIM-MS)—Part I LV Tose, NA Santos, RRT Rodrigues, M Murgu, AF Gomes, ... International Journal of Mass Spectrometry 418, 112-121, 2017 | 26 | 2017 |
| An allosteric pathway in copper, zinc superoxide dismutase unravels the molecular mechanism of the G93A amyotrophic lateral sclerosis-linked mutation PCT Souza, S Thallmair, SJ Marrink, R Mera-Adasme The journal of physical chemistry letters 10 (24), 7740-7744, 2019 | 25 | 2019 |
| A molecular view on the escape of lipoplexed DNA from the endosome BMH Bruininks, PCT Souza, H Ingolfsson, SJ Marrink Elife 9, e52012, 2020 | 24 | 2020 |
| 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 | 22 | 2020 |
Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenVerified email at rug.nl
