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

Integrative Computational Approaches for the Discovery of Triazole-Based Urease Inhibitors: A Machine Learning, Virtual Screening, and Meta-Dynamics Framework

用于发现三唑类脲酶抑制剂的综合计算方法:机器学习、虚拟筛选和元动力学框架

Ríos-Rozas, Sofía E; Morales, Natalia; Valdés-Muñoz, Elizabeth; Urra, Gabriela; Flores-Morales, Camila A; Farías-Abarca, Javier; Hernández-Rodríguez, Erix W; Palma, Jonathan M; Osorio, Manuel I; Yáñez-Osses, Osvaldo; Morales-Quintana, Luis; Suardíaz, Reynier; Bustos, Daniel

Comparative Data Analysis of Virtual Screening Methodologies for Predicting Urease Inhibitory Activity

预测脲酶抑制活性的虚拟筛选方法的比较数据分析

Valdés-Muñoz, Elizabeth; Olguín-Orellana, Gabriel J; Ríos-Rozas, Sofía E; Alegría-Arcos, Melissa; Morales, Natalia; Rojas-Santander, Vicente; Farías-Abarca, Javier; Palma, Jonathan M; Hernández-Rodríguez, Erix W; Suardíaz, Reynier; Bustos, Daniel

From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins

从蛋白质组到潜在药物:整合减法蛋白质组学和集成对接技术以开发针对铜绿假单胞菌RND超家族蛋白的药物

Urra, Gabriela; Valdés-Muñoz, Elizabeth; Suardiaz, Reynier; Hernández-Rodríguez, Erix W; Palma, Jonathan M; Ríos-Rozas, Sofía E; Flores-Morales, Camila A; Alegría-Arcos, Melissa; Yáñez, Osvaldo; Morales-Quintana, Luis; D'Afonseca, Vívian; Bustos, Daniel

Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations

揭示幽门螺杆菌新型尿素酶抑制剂:从虚拟筛选和ADME到分子动力学模拟的多方法研究

Valenzuela-Hormazabal, Paulina; Sepúlveda, Romina V; Alegría-Arcos, Melissa; Valdés-Muñoz, Elizabeth; Rojas-Pérez, Víctor; González-Bonet, Ileana; Suardíaz, Reynier; Galarza, Christian; Morales, Natalia; Leddermann, Verónica; Castro, Ricardo I; Benso, Bruna; Urra, Gabriela; Hernández-Rodríguez, Erix W; Bustos, Daniel

Calcium-Alginate-Chitosan Nanoparticle as a Potential Solution for Pesticide Removal, a Computational Approach

钙-海藻酸-壳聚糖纳米颗粒作为一种潜在的农药去除解决方案:一种计算方法

Yáñez, Osvaldo; Alegría-Arcos, Melissa; Suardiaz, Reynier; Morales-Quintana, Luis; Castro, Ricardo I; Palma-Olate, Jonathan; Galarza, Christian; Catagua-González, Ángel; Rojas-Pérez, Víctor; Urra, Gabriela; Hernández-Rodríguez, Erix W; Bustos, Daniel

Structural Effects of pH Variation and Calcium Amount on the Microencapsulation of Glutathione in Alginate Polymers

pH值变化和钙含量对藻酸盐聚合物中谷胱甘肽微囊化的结构影响

Bustos, Daniel; Hernández-Rodríguez, Erix W; Castro, Ricardo I; Morales-Quintana, Luis

Elucidating the Structural Basis of the Intracellular pH Sensing Mechanism of TASK-2 K2P Channels

阐明TASK-2 K2P通道细胞内pH传感机制的结构基础

Daniel Bustos, Mauricio Bedoya, David Ramírez, Guierdy Concha, Leandro Zúñiga, Niels Decher, Erix W Hernández-Rodríguez, Francisco V Sepúlveda, Leandro Martínez, Wendy González1