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

Author Correction: An abundant ginger compound furanodienone alleviates gut inflammation via the xenobiotic nuclear receptor PXR in mice

作者更正:生姜中含量丰富的化合物呋喃二烯酮可通过异源生物核受体PXR缓解小鼠肠道炎症。

Wang, Xiaojuan; Zhang, Guohui; Bian, Zhiwei; Chow, Vimanda; Grimaldi, Marina; Carivenc, Coralie; Sirounian, Savannah; Li, Hao; Sladekova, Lucia; Motta, Stefano; Luperi, Yulia; Gong, Yufeng; Costello, Cait; Li, Linhao; Jachimowicz, Matthew; Guo, Miao; Hu, Shian; Wilson, Derek; Balaguer, Patrick; Bourguet, William; Mani, Sridhar; Bonati, Laura; Peng, Hui; March, John; Wang, Hongbing; Wang, Shengpeng; Krause, Henry M; Liu, Jiabao

Computational discovery of novel aryl hydrocarbon receptor modulators for psoriasis therapy

利用计算方法发现用于银屑病治疗的新型芳烃受体调节剂

Santini, Gianluca; Bonati, Laura; Motta, Stefano

SOMMD: an R package for the analysis of molecular dynamics simulations using self-organizing map

SOMMD:一个用于分析使用自组织映射的分子动力学模拟的 R 包

Motta, Stefano; Callea, Lara; Mulla, Shaziya Ismail; Davoudkhani, Hamid; Bonati, Laura; Pandini, Alessandro

Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells

利用分子动力学优化设计功能化纳米器件以靶向肿瘤细胞上的叶酸受体

Donadoni, Edoardo; Frigerio, Giulia; Siani, Paulo; Motta, Stefano; Vertemara, Jacopo; De Gioia, Luca; Bonati, Laura; Di Valentin, Cristiana

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

百亿亿次级计算时代的药物设计:来自大规模并行QM/MM模拟的视角

Raghavan, Bharath; Paulikat, Mirko; Ahmad, Katya; Callea, Lara; Rizzi, Andrea; Ippoliti, Emiliano; Mandelli, Davide; Bonati, Laura; De Vivo, Marco; Carloni, Paolo

TCDD-Induced Allosteric Perturbation of the AhR:ARNT Binding to DNA

TCDD诱导的AhR:ARNT与DNA结合的变构扰动

Motta, Stefano; Bonati, Laura

PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations

PathDetect-SOM:一种用于识别配体结合模拟中通路的神经网络方法

Motta, Stefano; Callea, Lara; Bonati, Laura; Pandini, Alessandro

Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks

利用定向分子动力学和人工神经网络重建ARNT PAS-B展开路径

Motta, Stefano; Pandini, Alessandro; Fornili, Arianna; Bonati, Laura

Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process

基于元动力学的缺氧诱导因子2α配体结合过程建模方法

Callea, Lara; Bonati, Laura; Motta, Stefano

Comparative In Vitro and In Silico Analysis of the Selectivity of Indirubin as a Human Ah Receptor Agonist

体外和计算机模拟比较分析靛玉红作为人Ah受体激动剂的选择性

Faber, Samantha C; Soshilov, Anatoly A; Giani Tagliabue, Sara; Bonati, Laura; Denison, Michael S