يعرض 1 - 10 نتائج من 664 نتيجة بحث عن '"Molecular Dynamics (MD) simulations"', وقت الاستعلام: 0.91s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Effect of Organic Solvents on the Activity, Stability and Secondary Structure of asclepain cI, Using FTIR and Molecular Dynamics Simulations

    المؤلفون: Origone, Anabella L.Aff1, Aff2, Hissi, Esteban G. VegaAff3, Aff4, IDs10930024101824_cor2, Liggieri, Constanza S., Camí, Gerardo E.Aff6, Aff7, Illanes, Andrés, Barberis, Sonia E.Aff1, Aff2, IDs10930024101824_cor6

    المصدر: The Protein Journal. 43(3):487-502

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  2. 2
    دورية أكاديمية
    Curcumin interferes with chitin synthesis in Aedes aegypti: a computational and experimental investigation

    المؤلفون: Rao, Priyashi, Ninama, Jinal, Dudhat, Mansi, Goswami, Dweipayan, Rawal, Rakesh M.Aff1, Aff2, IDs11030023106720_cor5

    المصدر: Molecular Diversity. 28(3):1505-1529

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  3. 3
    دورية أكاديمية
    Comparative molecular dynamics simulations provided insights into the mechanisms of cold-adaption of alginate lyases from the PL7 family

    المؤلفون: Bian, FeiAff1, IDs00792024013408_cor1, Liang, Xiao-Yue, Wang, Meng, Sun, Zhong-Zhi, Xie, Bin-BinAff2, IDs00792024013408_cor5

    المصدر: Extremophiles: Microbial Life Under Extreme Conditions. 28(2)

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  4. 4
    دورية أكاديمية
    Cytokines inhibitory mechanism of Prunus domestica L. (Plum) peptides as potential immunomodulators against systemic lupus erythematosus: an in-silico screening

    المؤلفون: Gupta, Anshika, Jamal, Tanya, Rajbhar, Priyanka, Gaur, Anamika Singh, Chauhan, Shweta SinghAff1, Aff2, Parthasarathi, RamakrishnanAff1, Aff2, IDs40203023001888_cor6

    المصدر: In Silico Pharmacology. 12(1)

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  5. 5
    كتاب إلكتروني
    On the Deformation Mechanism and Dislocation Density Evolution in A Polycrystalline Nano Copper at 10 K–700 K/108 s−1–109 s−1 Employing Molecular Dynamics Simulations

    المؤلفون: Kashyap, PrashantAff5, Sainath, G.Aff6, Aff7, Kumar, NileshAff5, Yadav, Surya D.Aff5

    المساهمون: Patra, Sudipta, editorAff1, Sinha, Subhasis, editorAff2, Mahobia, G. S., editorAff3, Kamble, Deepak, editorAff4

    المصدر: Proceedings of the International Conference on Metallurgical Engineering and Centenary Celebration : METCENT-2023, 26-28 October, Varanasi, India. :131-144

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  6. 6
    دورية أكاديمية
    Mechanism investigation of highly selective inhibitors toward phosphodiesterase 5 and 6 via the in vitro calculation and simulation

    المؤلفون: Lihang Qu, Kaijian Sun, Zhouyu Jiang, Ting Wang, Linlin Chen, Chunjian Shen, Ruidong Gu

    المصدر: Frontiers in Chemistry, Vol 12 (2024)

    مصطلحات موضوعية: phosphodiesterase 5 (PDE5) inhibitors, selectivity, molecular dynamics (MD) simulations, quantum mechanics/molecular mechanics (QM/MM), independent gradient model (IGM) analysis, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: https://www.frontiersin.org/articles/10.3389/fchem.2024.1400886/full; https://doaj.org/toc/2296-2646

    URL الوصول: https://doaj.org/article/8a7c4f8b72fa40868a68c25638e19ed3

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  7. 7
    دورية أكاديمية
    Mechanistic analysis of nanocellulose formation tuned by deep eutectic solvents

    المؤلفون: Bi, Xuerong, Guo, JianshengAff1, Aff2, Wen, JinAff3, IDs1057002305443x_cor3, Yu, ChongwenAff1, Aff2, IDs1057002305443x_cor4

    المصدر: Cellulose. 30(15):9349-9364

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  8. 8
    مؤتمر
    Conformation and Adsorption Properties in Aqueous Solution for Polycarboxylate Superplasticizers with Different Main Chain Lengths

    المؤلفون: Zhang, Shaomin, Chuang, Po-Hsiang, Ke, Yuliang, Fang, Yunhui

    المصدر: 2020 International Conference on Artificial Intelligence and Electromechanical Automation (AIEA) AIEA Artificial Intelligence and Electromechanical Automation (AIEA), 2020 International Conference on. :670-674 Jun, 2020

    Relation: 2020 International Conference on Artificial Intelligence and Electromechanical Automation (AIEA)

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  9. 9
    دورية أكاديمية
    Geometrical Features of Epidermal Growth Factor Receptor-Related Dimers Reveal the Mechanisms of Drug Resistance in Lung Cancer Patients

    المؤلفون: Zhu, M., Qureshi, R., Yan, H.

    المصدر: IEEE Access Access, IEEE. 9:5704-5715 2021

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  10. 10
    دورية أكاديمية
    Crystal-orientation-dependent physical sputtering from four elemental metals

    المؤلفون: M. Balden, K. Schlueter, D. Dhard, P. Bauer, R. Nilsson, F. Granberg, K. Nordlund, G. Hobler

    المصدر: Nuclear Materials and Energy, Vol 37, Iss , Pp 101559- (2023)

    مصطلحات موضوعية: Physical sputtering yield, Crystallinity, Electron backscattering diffraction (EBSD), Focused ion beam (FIB), Molecular dynamics (MD) simulations, Binary collision approximation (BCA) simulations, Nuclear engineering. Atomic power, TK9001-9401

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2352179123001989; https://doaj.org/toc/2352-1791

    URL الوصول: https://doaj.org/article/72ec59f4baa24d36bf8e5ab4f0360af2

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