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  1. 601
    Heterogeneous graph convolutional neural network for protein-ligand scoring

    Heterogeneous graph convolutional neural network for protein-ligand scoring by Kevin Crampon, Alexis Giorkallos, Xavier Vigouroux, Stephanie Baud, Luiz Angelo Steffenel

    Published 2023-04-01
    Subjects: “…molecular docking…”
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  2. 602
    Chemical, Spectral, Biological, and Toxicological Studies of Some Benzene Derivatives Used in Pharmaceuticals: In Silico Approach

    Chemical, Spectral, Biological, and Toxicological Studies of Some Benzene Derivatives Used in Pharmaceuticals: In Silico Approach by Emranul Kabir, M R O Khan Noyon, Md Rabiul Alam, Mr. Nasiruddin, Sajia Islam, Mahima Akter, Monir Uzzaman

    Published 2024-12-01
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  3. 603
    Organic structure determination using 2-D NMR spectroscopy : a problem-based approach /

    Organic structure determination using 2-D NMR spectroscopy : a problem-based approach / by Simpson, Jeffrey H.

    Published 2012
    Subjects: “…Molecular structure. 14055…”
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  4. 604
    Spectroscopic (FT-IR and FT-Raman) and quantum chemical study on monomer and dimer of benznidazole from DFT and molecular docking approaches

    Spectroscopic (FT-IR and FT-Raman) and quantum chemical study on monomer and dimer of benznidazole from DFT and molecular docking approaches by Tirth Raj Paneru, Manoj Kumar Chaudhary, Poonam Tandon, Bhawani Datt Joshi, Beatriz Pinheiro Bezerra, Alejandro Pedro Ayala

    Published 2025-02-01
    Subjects: “…Molecular docking…”
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  5. 605
    The Role of Pentacyclic Triterpenoids in Non-Small Cell Lung Cancer: The Mechanisms of Action and Therapeutic Potential

    The Role of Pentacyclic Triterpenoids in Non-Small Cell Lung Cancer: The Mechanisms of Action and Therapeutic Potential by Young-Shin Lee, Ryuk Jun Kwon, Hye Sun Lee, Jae Heun Chung, Yun Seong Kim, Han-Sol Jeong, Su-Jung Park, Seung Yeon Lee, Taehwa Kim, Seong Hoon Yoon

    Published 2024-12-01
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  6. 606
    LEAF RUST RESISTANCE IN COMMON WHEAT VARIETIES AND LINES FROM THE COLLECTION OF THE VAVILOV PLANT INDUSTRY INSTITUTE CARRYING ALIEN GENETIC MATERIAL

    LEAF RUST RESISTANCE IN COMMON WHEAT VARIETIES AND LINES FROM THE COLLECTION OF THE VAVILOV PLANT INDUSTRY INSTITUTE CARRYING ALIEN GENETIC MATERIAL by A. S. Sadovaya, E. I. Gultyaeva, O. P. Mitrofanova, E. L. Shaidayuk, A. G. Hakimova, E. V. Zuev

    Published 2015-01-01
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  7. 607
    Importance of OsRac1 in Signalling of Pigm-1 Mediated Resistance to Rice Blast Disease

    Importance of OsRac1 in Signalling of Pigm-1 Mediated Resistance to Rice Blast Disease by Dewei Yang, Niqing He, Fenghuang Huang, Jialin Chen, Minxiang Yu, Yidan Jin, Shaojun Lin, Shengping Li

    Published 2025-01-01
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  8. 608
    Eccentric indices based QSPR evaluation of drugs for schizophrenia treatment

    Eccentric indices based QSPR evaluation of drugs for schizophrenia treatment by Muneeba Mansha, Sarfraz Ahmad, Zahid Raza

    Published 2025-01-01
    Subjects: “…Molecular graph…”
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  9. 609
    Harnessing Genetic Resistance in Maize and Integrated Rust Management Strategies to Combat Southern Corn Rust

    Harnessing Genetic Resistance in Maize and Integrated Rust Management Strategies to Combat Southern Corn Rust by Jiaying Chang, Shizhi Wei, Yueyang Liu, Zhiquan Zhao, Jie Shi

    Published 2025-01-01
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  10. 610
    Bioassays and virtual screening to identify potent natural antifouling compounds from the brown macroalga Dictyota dichotoma

    Bioassays and virtual screening to identify potent natural antifouling compounds from the brown macroalga Dictyota dichotoma by Ba-akdah Mohammad Abdulaziz, Satheesh Sathianeson

    Published 2024-09-01
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  11. 611
    AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells

    AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells by Galindo-Hernández Octavio, Vique-Sánchez José Luis

    Published 2022-09-01
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  12. 612
    Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling

    Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

    Published 2025-01-01
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  13. 613
    Comprehensive metabolite profiling and evaluation of anti-nociceptive and anti-inflammatory potencies of Nypa fruticans (Wurmb.) leaves: Experimental and in-silico approaches

    Comprehensive metabolite profiling and evaluation of anti-nociceptive and anti-inflammatory potencies of Nypa fruticans (Wurmb.) leaves: Experimental and in-silico approaches by Farhana Islam, Md. Aktaruzzaman, Md. Tarikul Islam, Fariya Islam Rodru, Saquiba Yesmine

    Published 2025-02-01
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  14. 614
    Two Small Peptides from <i>Buthus martensii</i> Hydrolysates Exhibit Antitumor Activity Through Inhibition of TNF-α-Mediated Signal Transduction Pathways

    Two Small Peptides from <i>Buthus martensii</i> Hydrolysates Exhibit Antitumor Activity Through Inhibition of TNF-α-Mediated Signal Transduction Pathways by Mengshuang Zhu, Shanshan Zhang, Jiyang Tang, Hairong Hou, Lizhen Wang, Houwen Lin, Xuanming Zhang, Meng Jin

    Published 2025-01-01
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  15. 615
    Differential Gene Expression Analysis in a Lumbar Spinal Stenosis Rat Model via RNA Sequencing: Identification of Key Molecular Pathways and Therapeutic Insights

    Differential Gene Expression Analysis in a Lumbar Spinal Stenosis Rat Model via RNA Sequencing: Identification of Key Molecular Pathways and Therapeutic Insights by Jin Young Hong, Wan-Jin Jeon, Hyunseong Kim, Changhwan Yeo, Hyun Kim, Yoon Jae Lee, In-Hyuk Ha

    Published 2025-01-01
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  16. 616
    EIF1AX mutation in thyroid tumors: a retrospective analysis of cytology, histopathology and co-mutation profiles

    EIF1AX mutation in thyroid tumors: a retrospective analysis of cytology, histopathology and co-mutation profiles by Noha Elsherbini, Dong Hyun Kim, Richard J. Payne, Thomas Hudson, Véronique-Isabelle Forest, Michael P. Hier, Alexandra E. Payne, Marc P. Pusztaszeri

    Published 2022-11-01
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  17. 617
    Congenital muscular dystrophies and myopathies: the leading cause of genetic muscular disorders in eleven Chinese families

    Congenital muscular dystrophies and myopathies: the leading cause of genetic muscular disorders in eleven Chinese families by Bin Mao, Xiaoling Cai, Na Lin, Yulin Jiang, Na Hao, Yifang Dai, Danhua Guo, Deqin He, Huili Xue, Lingji Chen, Qianqian He, Min Zhang, Meihuan Chen, Hailong Huang, Liangpu Xu

    Published 2025-01-01
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  18. 618
    Extraction, GC-MS analysis, cytotoxic, anti-inflammatory and anticancer potential of Cannabis sativa female flower; in vitro, in vivo and in silico

    Extraction, GC-MS analysis, cytotoxic, anti-inflammatory and anticancer potential of Cannabis sativa female flower; in vitro, in vivo and in silico by Waqas Safir, Arif Malik, Arif Malik, Haleema Saadia, Ayesha Zahid, Jinyao Li

    Published 2025-02-01
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  19. 619
    COMBINATIONS OF ALLELES OF THE Ppd AND Vrn GENES DETERMINE THE HEADING TIME IN COMMON WHEAT VARIETIES

    COMBINATIONS OF ALLELES OF THE Ppd AND Vrn GENES DETERMINE THE HEADING TIME IN COMMON WHEAT VARIETIES by E. K. Potokina, V. A. Koshkin, E. A. Alekseeva, I. I. Matvienko, V. A. Filobok, L. A. Bespalova

    Published 2014-12-01
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  20. 620
    Evaluation and mechanism investigations of titanium-fire inclusiveness in aeroengine compressor

    Evaluation and mechanism investigations of titanium-fire inclusiveness in aeroengine compressor by MI Guangbao, SUN Ruochen, QIU Yuehai, DONG Fuli

    Published 2025-01-01
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