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

Structural, Electronic, and Optical Properties of Monoclinic Pharmaceutical Crystals: A DFT Study of Salicylic Acid, Acetylsalicylic Acid, Acetaminophen, and Ibuprofen

单斜晶系药物晶体的结构、电子和光学性质：水杨酸、乙酰水杨酸、对乙酰氨基酚和布洛芬的DFT研究

期刊:ACS Omega
影响因子:4.3
doi:10.1021/acsomega.5c06006
Ferreira, Liciane L; Alves, Mariana S; P Oliveira, Micael E; Freire, Valder N; Silva, Bruno P; Silva, José B; Caetano, Ewerton W S
发表日期：2026
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Binding of Steroid Hormones to the FA1 and FA6 Sites of Human Serum Albumin through Computational Biology and Quantum Biochemistry

利用计算生物学和量子生物化学方法研究类固醇激素与人血清白蛋白FA1和FA6位点的结合

期刊:ACS Omega
影响因子:4.3
doi:10.1021/acsomega.5c11421
França, Victor L B; Hadad, André; Amaral, Jackson L; Vieira, Francisco R X; Carvalho, Hernandes F; Freire, Valder N
Human
免疫/内分泌
发表日期：2026
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Red-shifted optical absorption induced by donor-acceptor-donor π-extended dibenzalacetone derivatives

供体-受体-供体π共轭二苯甲酮衍生物诱导的红移光吸收

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d4ra07256a
Vasconcelos, Vitória M R; Postacchini, Bruna B; Dos Santos, Hélcio S; Cajazeiras, Francisco F M; Freire, Valder N; Alves Junior, Clodomiro; Pessoa, Cláudia; da Costa, Roner F; Vasconcelos, Igor F; Bezerra, Eveline M
信号转导
发表日期：2025
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Alzheimer's Disease Immunotherapy and Mimetic Peptide Design for Drug Development: Mutation Screening, Molecular Dynamics, and a Quantum Biochemistry Approach Focusing on Aducanumab::Aβ2-7 Binding Affinity

阿尔茨海默病免疫疗法和模拟肽设计在药物开发中的应用：突变筛选、分子动力学和量子生物化学方法，重点关注Aducanumab::Aβ2-7结合亲和力

期刊:ACS Chemical Neuroscience
影响因子:3.9
doi:10.1021/acschemneuro.4c00453
França, Victor L B; Bezerra, Eveline M; da Costa, Roner F; Carvalho, Hernandes F; Freire, Valder N; Matos, Geanne
阿尔茨海默症
免疫/内分泌
发表日期：2024
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In silico approach revealed the membrane receptor PHO36 as a new target for synthetic anticandidal peptides

计算机模拟方法揭示了膜受体PHO36是合成抗念珠菌肽的新靶点。

期刊:Future Microbiology
影响因子:2.4
doi:10.1080/17460913.2024.2398904
Lopes, Francisco Es; Souza, Pedro Fn; Brito, Daiane Ms; Mesquita, Felipe P; Montenegro, Raquel C; Amaral, Jackson L; Filho, José Ha; Freire, Valder N; Cordeiro, Rossana A
信号转导
发表日期：2024
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Pharmacokinetic Profile Evaluation of Novel Combretastatin Derivative, LASSBio-1920, as a Promising Colorectal Anticancer Agent

新型康普瑞汀衍生物 LASSBio-1920 作为有前途的结肠直肠抗癌药物的药代动力学特性评估

期刊:Pharmaceutics
影响因子:4.9
doi:10.3390/pharmaceutics15041282
Celina de Jesus Guimarães, Teiliane Rodrigues Carneiro, Marisa Jadna Silva Frederico, Guilherme G C de Carvalho, Matthew Little, Valder N Freire, Victor L B França, Daniel Nascimento do Amaral, Jéssica de Siqueira Guedes, Eliezer J Barreiro, Lídia Moreira Lima, Francisco W A Barros-Nepomuceno, Claud
肿瘤
肠癌
发表日期：2023
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In silico description of the adsorption of cell signaling pathway proteins ovalbumin, glutathione, LC3, TLR4, ASC PYCARD, PI3K and NF-Kβ on 7.0 nm gold nanoparticles: obtaining their Lennard-Jones-like potentials through docking and molecular mechanics

利用计算机模拟方法描述细胞信号通路蛋白卵清蛋白、谷胱甘肽、LC3、TLR4、ASC PYCARD、PI3K 和 NF-Kβ 在 7.0 nm 金纳米颗粒上的吸附：通过分子对接和分子力学方法获得其类 Lennard-Jones 势

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d3ra06180a
Coelho, Monique M; Bezerra, Eveline M; da Costa, Roner F; de Alvarenga, Érika C; Freire, Valder N; Carvalho, Cláudia R; Pessoa, Claudia; Albuquerque, Eudenilson L; Costa, Raquel A
信号转导
ASC
TLR4
PYC
细胞生物学
发表日期：2023
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Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry

氯沙坦作为ACE抑制剂：通过量子生物化学描述其作用机制

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d2ra04340h
Bezerra, Eveline M; de Alvarenga, Érika C; Dos Santos, Ricardo P; de Sousa, Jeanlex S; Fulco, Umberto L; Freire, Valder N; Albuquerque, Eudenilson L; da Costa, Roner F
发表日期：2022
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ACE2-derived peptides interact with the RBD domain of SARS-CoV-2 spike glycoprotein, disrupting the interaction with the human ACE2 receptor

ACE2衍生肽与SARS-CoV-2刺突糖蛋白的RBD结构域相互作用，从而破坏其与人ACE2受体的结合。

期刊:Journal of Biomolecular Structure & Dynamics
影响因子:2.4
doi:10.1080/07391102.2020.1871415
Souza, Pedro F N; Amaral, Jackson L; Bezerra, Leandro P; Lopes, Francisco E S; Freire, Valder N; Oliveira, Jose T A; Freitas, Cleverson D T
SARS-CoV-2
信号转导
ACE2
发表日期：2022
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Quantum biochemistry, molecular docking, and dynamics simulation revealed synthetic peptides induced conformational changes affecting the topology of the catalytic site of SARS-CoV-2 main protease

量子生物化学、分子对接和动力学模拟揭示了合成肽诱导的构象变化会影响SARS-CoV-2主蛋白酶催化位点的拓扑结构。

期刊:Journal of Biomolecular Structure & Dynamics
影响因子:2.4
doi:10.1080/07391102.2021.1920464
Amaral, Jackson L; Oliveira, Jose T A; Lopes, Francisco E S; Freitas, Cleverson D T; Freire, Valder N; Abreu, Leonardo V; Souza, Pedro F N
SARS-CoV-2
发表日期：2022
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