日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Structural and functional implications of phase separation of membrane protein LacY in Escherichia coli

大肠杆菌膜蛋白 LacY 相分离的结构和功能意义

Linnik, Dmitrii; Sultanji, Sumayra; Stevens, Jan A; Schuurman-Wolters, Gea K; de Boer, Rinse; Punter, Christiaan M; Marrink, Siewert J; Maslov, Ivan; Poolman, Bert

Peptide Electrostatic Modulation Directs Human Neural Cell Fate.

肽静电调节决定人类神经细胞的命运。

Perez-Chirinos Laura, Barceló Xavier, Chiariello M Gabriella, Sanz Irene, Iturrospe Amaia, Arbe Arantxa, Ortega J Alberto, Marrink Siewert J, Cortajarena Aitziber L, Álvarez Zaida, Sasselli Ivan R

Martini 3 Building Blocks for Lipid Nanoparticle Design

Martini 3 脂质纳米颗粒设计的基本构建模块

Kjølbye, Lisbeth R; Valério, Mariana; Paloncýová, Markéta; Borges-Araújo, Luís; Pestana-Nobles, Roberto; Grünewald, Fabian; Bruininks, Bart M H; Araya-Osorio, Rocío; Šrejber, Martin; Mera-Adasme, Raul; Monticelli, Luca; Marrink, Siewert J; Otyepka, Michal; Wu, Sangwook; Souza, Paulo C T

Compartment-guided assembly of large-scale molecular models with Bentopy

利用Bentopy进行区室引导的大规模分子模型组装

Westendorp, M S S; Stevens, J A; Brown, C M; Dommer, A C; Wassenaar, T A; Bruininks, B M H; Marrink, S J

The need to implement FAIR principles in biomolecular simulations

在生物分子模拟中实施 FAIR 原则的必要性

Amaro, Rommie E; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C; Bonomi, Massimiliano; Bowman, Gregory R; Bryce, Richard A; Bussi, Giovanni; Carloni, Paolo; Case, David A; Cavalli, Andrea; Chang, Chia-En A; Cheatham, Thomas E 3rd; Cheung, Margaret S; Chipot, Christophe; Chong, Lillian T; Choudhary, Preeti; Cisneros, G Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T Daniel; Dal Peraro, Matteo; de Groot, Bert L; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan W; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Ll; Gervasio, Francesco L; González-Nilo, Fernando D; Grubmüller, Helmut; Guenza, Marina G; Guzman, Horacio V; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernández, Javier; Jensen, Jan H; Jha, Shantenu; Jiao, Wanting; Jorgensen, William L; Kamerlin, Shina C L; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun L; Luque, F Javier; Lynch, Charlotte I; MacKerell, Alexander D Jr; Magistrato, Alessandra; Marrink, Siewert J; Martin, Hugh; McCammon, J Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian J; Murad, Sohail; Naganathan, Athi N; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O'Mara, Megan L; Ondrechen, Mary Jo; Onuchic, Jose N; Onufriev, Alexey; Osuna, Sílvia; Palermo, Giulia; Panchenko, Anna R; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R; Pettitt, B Montgomery; Pietropaolo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo B; Praprotnik, Matej; Ramos, Maria J; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Rothlisberger, Ursula; Sanbonmatsu, Karissa Y; Schlick, Tamar; Shaytan, Alexey K; Simmerling, Carlos; Smith, Jeremy C; Sugita, Yuji; Świderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tieleman, D Peter; Tikhonova, Irina G; Tirado-Rives, Julian; Tuñón, Iñaki; van der Kamp, Marc W; van der Spoel, David; Velankar, Sameer; Voth, Gregory A; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey D; Wheeler, Travis J; Wong, Chung F; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto

GōMartini 3: From large conformational changes in proteins to environmental bias corrections

GōMartini 3:从蛋白质的大构象变化到环境偏差校正

Souza, Paulo C T; Borges-Araújo, Luís; Brasnett, Christopher; Moreira, Rodrigo A; Grünewald, Fabian; Park, Peter; Wang, Liguo; Razmazma, Hafez; Borges-Araújo, Ana C; Cofas-Vargas, Luis Fernando; Monticelli, Luca; Mera-Adasme, Raúl; Melo, Manuel N; Wu, Sangwook; Marrink, Siewert J; Poma, Adolfo B; Thallmair, Sebastian

Validation of a Coarse-Grained Martini 3 Model for Molecular Oxygen

粗粒化 Martini 3 模型在分子氧中的验证

Davoudi, Samaneh; Vainikka, Petteri A; Marrink, Siewert J; Ghysels, An

TS2CG as a Membrane Builder

TS2CG 作为膜结构建造商

Schuhmann, Fabian; Stevens, Jan A; Rahmani, Neda; Lindahl, Isabell; Brown, Chelsea M; Brasnett, Christopher; Anastasiou, Dimitrios; Vidal, Adrià Bravo; Geiger, Beatrice; Marrink, Siewert J; Pezeshkian, Weria

Hexokinase-I directly binds to a charged membrane-buried glutamate of mitochondrial VDAC1 and VDAC2

己糖激酶-I 直接与线粒体 VDAC1 和 VDAC2 的带电膜埋谷氨酸结合

Sebastian Bieker #, Michael Timme #, Nils Woge, Dina G Hassan, Chelsea M Brown, Siewert J Marrink, Manuel N Melo, Joost C M Holthuis

Mutagenesis-based optimal design of plant peptide phytosulfokine for enhanced biological activity.

基于诱变的植物肽植物硫激酶优化设计,以增强其生物活性

Ye Rui, Xu Chen, Ding Zhong-Jie, Zheng Shao-Jian, Marrink Siewert-Jan, Zhang Dong, Zhou Ruhong