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

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

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

Systematic Approach to Parametrization of Disaccharides for the Martini 3 Coarse-Grained Force Field

Martini 3 粗粒化力场中二糖参数化的系统方法

Brandner, Astrid F; Smith, Iain P S; Marrink, Siewert J; Souza, Paulo C T; Khalid, Syma

Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery

用于模拟脂质介导的活性药物成分递送的计算方法

Paloncýová, Markéta; Valério, Mariana; Dos Santos, Ricardo Nascimento; Kührová, Petra; Šrejber, Martin; Čechová, Petra; Dobchev, Dimitar A; Balsubramani, Akshay; Banáš, Pavel; Agarwal, Vikram; Souza, Paulo C T; Otyepka, Michal

A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1

毫秒粗粒度模拟方法解释变构大麻素与甘氨酸受体 α1 的结合

Alessio Bartocci, Andrea Grazzi, Nour Awad, Pierre-Jean Corringer, Paulo C T Souza, Marco Cecchini

Spc2 modulates substrate- and cleavage site-selection in the yeast signal peptidase complex

Spc2 调控酵母信号肽酶复合物中的底物和切割位点选择。

Yeonji Chung # ,Chewon Yim # ,Gilberto P Pereira # ,Sungjoon Son ,Lisbeth R Kjølbye ,Lauren E Mazurkiewicz ,Amy M Weeks ,Friedrich Förster ,Gunnar von Heijne ,Paulo C T Souza ,Hyun Kim

Expulsion mechanism of the substrate-translocating subunit in ECF transporters

ECF 转运体中底物转运亚基的排出机制

Chancievan Thangaratnarajah, Mark Nijland, Luís Borges-Araújo, Aike Jeucken, Jan Rheinberger, Siewert J Marrink, Paulo C T Souza, Cristina Paulino, Dirk J Slotboom

CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization

CGCompiler:基于抗噪声混合变量优化的自动化粗粒化分子参数化

Stroh, Kai Steffen; Souza, Paulo C T; Monticelli, Luca; Risselada, Herre Jelger

Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

Polyply;一个用于简化大分子和纳米材料模拟的Python套件

Grünewald, Fabian; Alessandri, Riccardo; Kroon, Peter C; Monticelli, Luca; Souza, Paulo C T; Marrink, Siewert J

Martini 3 Coarse-Grained Force Field for Carbohydrates

Martini 3 粗粒化力场(用于碳水化合物)

Grünewald, Fabian; Punt, Mats H; Jefferys, Elizabeth E; Vainikka, Petteri A; König, Melanie; Virtanen, Valtteri; Meyer, Travis A; Pezeshkian, Weria; Gormley, Adam J; Karonen, Maarit; Sansom, Mark S P; Souza, Paulo C T; Marrink, Siewert J