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Molecular Diversity 封面图

Molecular Diversity

IF3.8
论文数2960
被引数4947
期刊论文 2960
发表时间
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Correction: Addressing the selectivity challenge in matrix metalloproteinases: fragment-based design of MMP-9 inhibitors targeting the S1′ pocket修正：解决基质金属蛋白酶的选择性挑战：靶向S1′口袋的MMP-9抑制剂片段基设计
deleteMolecular Diversity
IF3.8
delete2026-10-10
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PREAI
deleteAshish Kumar; Md Sameer; Arbaz Sujat Shaikh; Yaman Chauhan; Venkata Rao Kaki
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In silico directed evolution of humanized peptide transporters via computational epistatic rescue通过计算表型互补策略对人类化肽转运蛋白进行计算机辅助定向进化
deleteMolecular Diversity
IF3.8
delete2026-09-25
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PREAI
deleteAlper Karagöl; Taner Karagöl
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Evaluation of toll-like receptor inhibition by novel thymoquinone analogues as potential remedy for diabetic nephropathy新型槲皮酮类似物对Toll样受体抑制作用的评估，作为糖尿病肾病的潜在疗法
deleteMolecular Diversity
IF3.8
delete2026-09-25
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PREAI
deleteNashwa H. Zaher; Reham M. M. El-Hazek; Mohamed I. Mostafa
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Discovery of a new SARS-CoV-2 Mpro inhibitor from a natural product and natural product-like compound database using in silico and in vitro studies通过计算机模拟和体外研究，从天然产物及类天然产物化合物数据库中发现一种新的SARS-CoV-2 Mpro抑制剂
deleteMolecular Diversity
IF3.8
delete2026-09-23
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PREAI
deleteSudesna Das; Uttam Pal; Yasmin Begum; Akshay Joshi; Nittu Singh; Krishan Gopal Thakur; Umesh Prasad Singh
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Discovery of potent and selective MAO-B inhibitors from a morpholine-substituted chalcone library for neurodegenerative disorders从含吗啉基取代的查尔酮库中发现高效且选择性的MAO-B抑制剂，用于神经退行性疾病
deleteMolecular Diversity
IF3.8
delete2026-09-23
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PREAI
deleteAsmar Taghiyeva; Jaeyeop Lim; Abanish Biswas; Subodh Mondal; Ritika Uppal Mukherjee; Vinay N. Basavanakatti; Nilüfer Bayrak; Venkatesan Jayaprakash; Man-Jeong Paik; Hoon Kim; Amaç Fatih TuYuN
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Exploring the molecular mechanism of benzo[a]pyrene affecting prostate cancer based on network toxicology and external validation基于网络毒理学和外部验证的苯并[a]芘影响前列腺癌的分子机制探索
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IF3.8
delete2026-09-23
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PREAI
deleteSiqi Zhu; Zhuang Li; Kehua Jiang; Fa Sun; Jianguo Zhu
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Structure-based drug repurposing and in vitro evaluation of VAV2-associated candidates for suppression of macrophage foam-cell formation in atherosclerosis基于结构的药物重定位及对抑制动脉粥样硬化中巨噬泡沫细胞形成的VAV2相关候选药物的体外评价
deleteMolecular Diversity
IF3.8
delete2026-09-19
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PREAI
deletePrerna Bansal; Kamna Srivastava
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Artificial intelligence-guided discovery of fungal ergosterol derivatives as selective LXRβ agonists targeting the cholesterol dependency of glioblastoma人工智能引导的真菌麦角甾醇衍生物作为选择性LXRβ激动剂，靶向胶质母细胞瘤的胆固醇依赖性
deleteMolecular Diversity
IF3.8
delete2026-09-12
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PREAI
deleteQi Li; Chunxue Zhang; Tiantian Hu; Zhenzhen Zhang; Haigang Wu
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Correction: Identification and validation of natural dengue virus NS1 inhibitors with promising antiviral potential纠正：鉴定和验证具有良好抗病毒潜力的天然登革病毒NS1抑制剂
deleteMolecular Diversity
IF3.8
delete2026-09-12
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deleteHanaan Kasim Ansari; Alisha; Mirza Sarwar Baig; Aquib Reza; Prem Prakash; Mairaj Ahmed Ansari; Anuja Krishnan
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HD-SKRG: a hierarchical dual-view and structure-knowledge relation graph enhancement network for few-shot molecular property predictionHD-SKRG：一种用于少样本分子性质预测的层次化双视图及结构-知识关系图增强网络
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IF3.8
delete2026-09-12
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deleteLuyi Jia; Mingyang Wang; Zeming Wang; Xianjie Wang
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Lipase ITB 2.1: a structure- and function-validated model for anti-obesity drug screening脂酶ITB 2.1：一种经过结构与功能验证的抗肥胖药物筛选模型
deleteMolecular Diversity
IF3.8
delete2026-09-12
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PREAI
deleteIlma Fauziah Ma’ruf; Teni Ernawati; Faris Hermawan; Akhmaloka Akhmaloka; Fida Madayanti Warganegara; Made Puspasari Widhiastuty; Elvi Restiawaty; Hesti Lina Wiraswati; Ahmad Wibisana; Tjandrawati Mozef; Nur Akmalia Hidayati; Titin Haryati; Dimas Frananta Simatupang
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Addressing the selectivity challenge in matrix metalloproteinases: fragment-based design of MMP-9 inhibitors targeting the S1′ pocket针对基质金属蛋白酶的选择性挑战：靶向S1′口袋的MMP-9抑制剂片段基设计
deleteMolecular Diversity
IF3.8
delete2026-09-09
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PREAI
deleteAshish Kumar; Md Sameer; Arbaz Sujat Shaikh; Yaman Chauhan; Venkata Rao Kaki
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Hot spot-driven discovery of β-catenin/Tcf4 interaction inhibitors via virtual drug repurposing study and experimental validation in colorectal cancer cells热点驱动的β-连环蛋白/Tcf4相互作用抑制剂发现：通过虚拟药物重定位研究和结直肠癌细胞实验验证
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IF3.8
delete2026-09-09
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deleteKader Sahin; Ajda Coker; Serdar Durdağı
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Electrochemical synthesis of antioxidant trideuteromethylthiolated enaminones through three-component cascade reactions通过三组分级联反应电化学合成抗氧化三氘甲基巯基化烯胺酮
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IF3.8
delete2026-09-09
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deleteJingjing Wang; Lijin Wang; Wenbo Zhang; Yaping Liu; Daoyong Ni; Ge Wu; Yuedan Wu
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Molecular-networking-based characterization of cytotoxic metabolites produced by the cyanobacterium Nostoc edaphicum CCNP1411基于分子网络表征念珠藻Nostoc edaphicum CCNP1411产生的细胞毒性代谢物
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delete2026-09-09
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deleteOAAI
deleteRobert Konkel; Marta Cegłowska; Łukasz Grabowski; Wiktoria Jeleniewska; Monika Zielenkiewicz; Katarzyna Gonera; Grzegorz Węgrzyn; Hanna Mazur-Marzec
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Computational discovery of novel human rhinovirus 3 C protease inhibitors: molecular docking, dynamic simulations, free energy landscape, MMPBSA and ADMET analysis新型人类鼻病毒3C蛋白酶抑制剂的计算发现：分子对接、动力学模拟、自由能景观、MMPBSA和ADMET分析
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IF3.8
delete2026-09-09
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deleteHafs Essaadi; Abdelfateh Chourir; Jouhaina Kourou; Farah Makhloufi; Ouissal Hachlaf; Aya Abidou; Saber Boutayeb; Rachid Eljaoudi; Lahcen Belyamani; Azeddine Ibrahimi; Mohammed Hakmi; Naima El Hafidi
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Recent advances of dual PROTACs for potential therapeutic applications双PROTACs在潜在治疗应用方面的最新进展
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IF3.8
delete2026-09-09
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deleteShun-Ran Li; Meng-Qian Yu; Bo-Qun Du; Ke-Jun Jin; Shu-Xun Chen; Zi Hui; Hang Zhang; Nian-Dong Mao; Yuan Gao; Xiang-Yang Ye
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PFOS exposure is linked to immune-metabolic disruption in MASLD: integrated population, computational, and experimental evidencePFOS暴露与MASLD中的免疫-代谢紊乱相关：整合人群、计算和实验证据
deleteMolecular Diversity
IF3.8
delete2026-09-05
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PREAI
deleteXulei Zuo; Shiyi Tan; Xiaoyu Hou; Cong Zhang; Yuxi Zhang; Juan Zhang
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A dynamic fusion diffusion model for molecular generation分子生成的动态融合扩散模型
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IF3.8
delete2026-09-05
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deleteLongbin Sun; Xiujuan Lei; Mei Ma
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FlavorGPN: a graph neural network for multi-label molecular flavor predictionFlavorGPN：用于多标签分子风味预测的图神经网络
deleteMolecular Diversity
IF3.8
delete2026-09-03
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deleteJie Liu; Xin Shu; Shougang Ren; Sheng Wan; Xingying Pan
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