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  1. 841
    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. 842
    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. 843
    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. 844
    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. 845
    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. 846
    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. 847
    A new species of Astragalus (Fabaceae) from the Irano-Turanian biodiversity hotspot: an integrative approach

    A new species of Astragalus (Fabaceae) from the Irano-Turanian biodiversity hotspot: an integrative approach by Zahra Karbalaei, Ali Bagheri, Ali Asghar Maassoumi, Twan Rutten, Frank R. Blattner

    Published 2025-01-01
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  8. 848
    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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  9. 849
    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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  10. 850
    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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  11. 851
    On structural invariants of energy spectrum of S=1 Heisenberg antiferromagnets with single-ion anisotropy

    On structural invariants of energy spectrum of S=1 Heisenberg antiferromagnets with single-ion anisotropy by Victor Tokariev, Mariia Fedorenko

    Published 2024-06-01
    Subjects: “…molecular nanomagnet…”
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  12. 852
    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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  13. 853
    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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  14. 854
    Elucidating genetic intersections: Co-differentially expressed genes in myasthenia gravis and idiopathic inflammatory myopathies and their role in comorbid pathogenesis

    Elucidating genetic intersections: Co-differentially expressed genes in myasthenia gravis and idiopathic inflammatory myopathies and their role in comorbid pathogenesis by Wenqu Yang, Feng Liang

    Published 2025-01-01
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  15. 855
    Molecular dynamics simulation of wild and mutant proteasome subunit beta type 8 (PSMB8) protein: Implications for restoration of inflammation in experimental autoimmune encephalomyelitis pathogenesis

    Molecular dynamics simulation of wild and mutant proteasome subunit beta type 8 (PSMB8) protein: Implications for restoration of inflammation in experimental autoimmune encephalomy... by Shamrat Kumar Paul, Md Saddam, Nisat Tabassum, Mahbub Hasan

    Published 2025-01-01
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  16. 856
    Novel perspectives on the pharmacological treatment of thyroid-associated ophthalmopathy

    Novel perspectives on the pharmacological treatment of thyroid-associated ophthalmopathy by Zilin Li

    Published 2025-01-01
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  17. 857
    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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  18. 858
    Mechanism of <italic>Coptis chinensis</italic> in Treatment of Type 2 Diabetes Mellitus Based on Network Pharmacology and Molecular Docking

    Mechanism of <italic>Coptis chinensis</italic> in Treatment of Type 2 Diabetes Mellitus Based on Network Pharmacology and Molecular Docking by LIU Huiling, TAN Dingying, HUANG Min, CHEN Pingping, ZHANG Wang

    Published 2021-12-01
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  19. 859
    Modeling the influence of external heat flux on thermal characteristics of the silica aerogel/paraffin in a cylindrical atomic duct

    Modeling the influence of external heat flux on thermal characteristics of the silica aerogel/paraffin in a cylindrical atomic duct by Lishan Geng, Ali B.M. Ali, Shahram Babadoust, Anjan Kumar, Barno Abdullaeva, Rasha Abed Hussein, Soheil Salahshour, Sh Esmaeili

    Published 2025-01-01
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  20. 860
    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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