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

In Silico Structural Analysis of the Grapevine Serine Protease VviSBT4.19 Involved in Defense against P. viticola

利用计算机模拟对参与抵御葡萄疫霉病菌的葡萄丝氨酸蛋白酶VviSBT4.19进行结构分析

期刊:Journal of Agricultural and Food Chemistry
影响因子:6.2
doi:10.1021/acs.jafc.5c11183
Rodrigues, Filipe E P; Ferreira, Sara G F; Paiva-Silva, Catarina; Figueiredo, Andreia; Santos, Rita B; Machuqueiro, Miguel
发表日期：2026
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Constant-pH Molecular Dynamics of Cationic Peptide Dendrimers Binding to siRNA

阳离子肽树状聚合物与siRNA结合的恒定pH分子动力学研究

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c02636
Rodrigues, Filipe E P; Darbre, Tamis; Machuqueiro, Miguel
发表日期：2026
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Improving the Estimation of pK(a) Values for All Titratable Amino Acids at the Water/Membrane Interface

改进水/膜界面所有可滴定氨基酸 pK(a) 值的估算

期刊:Journal of Physical Chemistry B
影响因子:2.9
doi:10.1021/acs.jpcb.5c07807
Oliveira, Nuno F B; Reis, Pedro B P S; Machuqueiro, Miguel
发表日期：2026
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Adding the AMBER 14SB Force Field to the Stochastic Titration CpHMD Method

将 AMBER 14SB 力场添加到随机滴定 CpHMD 方法中

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c00415
Sequeira, João G N; Roitberg, Adrian E; Machuqueiro, Miguel
发表日期：2025
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Chromenone Derivatives as CRM1 Inhibitors for Targeting Glioblastoma

色烯酮衍生物作为 CRM1 抑制剂用于靶向治疗胶质母细胞瘤

期刊:Chembiochem
影响因子:2.8
doi:10.1002/cbic.202500195
Princiotto, Salvatore; Jiménez, Lucía; Domínguez, Lucía; Sequeira, João G N; Mourato, Cristiana; Orea-Soufi, Alba; Santos, Bruno; Dallavalle, Sabrina; Machuqueiro, Miguel; Ferreira, Bibiana I; Link, Wolfgang
细胞生物学
发表日期：2025
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PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB

PypKa 服务器：利用来自 PDB 和 AlphaFold 数据库的预计算数据进行在线 pKa 预测和生物分子结构准备

期刊:Nucleic Acids Research
影响因子:13.1
doi:10.1093/nar/gkae255
Reis, Pedro B P S; Clevert, Djork-Arné; Machuqueiro, Miguel
发表日期：2024
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Is There a Functional Role for the Knotted Topology in Protein UCH-L1?

蛋白质 UCH-L1 中的打结拓扑结构是否具有功能作用？

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c00880
Ferreira, Sara G F; Sriramoju, Manoj K; Hsu, Shang-Te Danny; Faísca, Patrícia F N; Machuqueiro, Miguel
发表日期：2024
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High Charge Density in Peptide Dendrimers is Required to Destabilize Membranes: Insights into Endosome Evasion

肽树状聚合物的高电荷密度是破坏膜稳定性的必要条件：对内体逃逸机制的深入理解

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c00018
Rodrigues, Filipe E P; Darbre, Tamis; Machuqueiro, Miguel
发表日期：2024
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Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domain

利用恒定pH值分子动力学模拟研究白喉毒素转运结构域中质子化触发的构象转换

期刊:Biophysical Journal
影响因子:3.1
doi:10.1016/j.bpj.2024.08.023
Oliveira, Nuno F B; Ladokhin, Alexey S; Machuqueiro, Miguel
发表日期：2024
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Fighting Multidrug Resistance with Ruthenium-Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition

利用钌-环戊二烯基化合物对抗多药耐药性：揭示P-gp抑制机制

期刊:Journal of Medicinal Chemistry
影响因子:6.8
doi:10.1021/acs.jmedchem.3c01120
Teixeira, Ricardo G; Salaroglio, Iris C; Oliveira, Nuno F B; Sequeira, João G N; Fontrodona, Xavier; Romero, Isabel; Machuqueiro, Miguel; Tomaz, Ana Isabel; Garcia, M Helena; Riganti, Chiara; Valente, Andreia
发表日期：2023
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