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

Unveiling Adenine H‑bonded Hexads: Hierarchical Self-Assembly for Helical Columnar Functional Materials

揭示腺嘌呤氢键六元组:用于螺旋柱状功能材料的分级自组装

Martínez-Bueno, Alejandro; Valencia-Vásconez, Génesis M; Termine, Roberto; Golemme, Attilio; Ortega, Josu; Folcia, César L; Granadino-Roldán, José M; Navarro, Amparo; Giménez, Raquel; Sierra, Teresa

Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation

促进药物发现:拓展片段溶解分子动力学在加速结合模式阐明中的应用

Peralta-Moreno, Maria Nuria; Granadino-Roldán, José M; Tomas, Maria Santos; Rubio-Martinez, Jaime

Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 M(pro) Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation

揭开暗化学物质的神秘面纱:通过密集虚拟筛选和体外评估发现SARS-CoV-2 M(pro)主蛋白酶抑制剂

Peralta-Moreno, Maria Nuria; Mena, Yago; Ortega-Alarcon, David; Jimenez-Alesanco, Ana; Vega, Sonia; Abian, Olga; Velazquez-Campoy, Adrian; Thomson, Timothy M; Pinto, Marta; Granadino-Roldán, José M; Santos Tomas, Maria; Perez, Juan J; Rubio-Martinez, Jaime

Shedding light on the binding mechanism of kinase inhibitors BI-2536, Volasetib and Ro-3280 with their pharmacological target PLK1

阐明激酶抑制剂 BI-2536、Volasetib 和 Ro-3280 与其药理靶点 PLK1 的结合机制

Jesús Fernández-Sainz, Pedro J Pacheco-Liñán, José M Granadino-Roldán, Iván Bravo, Jaime Rubio-Martínez, José Albaladejo, Andrés Garzón-Ruiz

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening

通过虚拟筛选发现多种可作为 SARS-CoV-2 Mpro 蛋白酶抑制剂的天然产物

Jaime Rubio-Martínez, Ana Jiménez-Alesanco, Laura Ceballos-Laita, David Ortega-Alarcón, Sonia Vega, Cristina Calvo, Cristina Benítez, Olga Abian, Adrián Velázquez-Campoy, Timothy M Thomson, José Manuel Granadino-Roldán, Patricia Gómez-Gutiérrez, Juan J Pérez

Crosstalk between hydroxytyrosol, a major olive oil phenol, and HIF-1 in MCF-7 breast cancer cells

羟基酪醇(一种主要的橄榄油酚)与 MCF-7 乳腺癌细胞中的 HIF-1 之间的串扰

Jesús Calahorra, Esther Martínez-Lara, José M Granadino-Roldán, Juan M Martí, Ana Cañuelo, Santos Blanco, F Javier Oliver, Eva Siles

Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors

设置方案对一组ACK1抑制剂的炼金术自由能计算准确性的影响

Granadino-Roldán, José M; Mey, Antonia S J S; Pérez González, Juan J; Bosisio, Stefano; Rubio-Martinez, Jaime; Michel, Julien

Binding of the anticancer drug BI-2536 to human serum albumin. A spectroscopic and theoretical study

抗癌药物 BI-2536 与人血清白蛋白的结合。光谱和理论研究

Jesús Fernández-Sainz, Pedro J Pacheco-Liñán, José M Granadino-Roldán, Iván Bravo, Andrés Garzón, Jaime Rubio-Martínez, José Albaladejo

Recognition and discrimination of DNA quadruplexes by acridine-peptide conjugates

吖啶肽结合物对 DNA 四链体的识别和鉴别

James E Redman, J M Granadino-Roldán, James A Schouten, Sylvain Ladame, Anthony P Reszka, Stephen Neidle, Shankar Balasubramanian