يعرض 1 - 10 نتائج من 2,169 نتيجة بحث عن '"Protein–ligand docking"', وقت الاستعلام: 0.91s تنقيح النتائج
  1. 1
    دورية أكاديمية
    ViTScore: A Novel Three-Dimensional Vision Transformer Method for Accurate Prediction of Protein–Ligand Docking Poses

    المؤلفون: Guo, L., Qiu, T., Wang, J.

    المصدر: IEEE Transactions on NanoBioscience IEEE Trans.on Nanobioscience NanoBioscience, IEEE Transactions on. 22(4):734-743 Oct, 2023

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  2. 2
    دورية أكاديمية
    Identification of inhibitors for the collagenase of Leptospira interrogans through docking and molecular simulation

    المؤلفون: Kumar, Vikram, Chellasamy, Selvaa Kumar, Srikakulam, Nagesh, Satheeshkumar, Padikara K., Madathiparambil, Madanan Gopalakrishnan, Tennyson, JebasinghAff1, IDs4353802400330w_cor6

    المصدر: Proceedings of the Indian National Science Academy. :1-10

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  3. 3
    مؤتمر
    PandoraRL: DQN and Graph Convolution based ligand pose learning for SARS-COV1 Mprotease

    المؤلفون: Jose, Justin, Alam, Ujjaini, Singh, Divye, Jatana, Nidhi, Arora, Pooja

    المصدر: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) Bioinformatics and Biomedicine (BIBM), 2022 IEEE International Conference on. :380-385 Dec, 2022

    Relation: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

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  4. 4
    مؤتمر
    ViTRMSE: a three-dimensional RMSE scoring method for protein-ligand docking models based on Vision Transformer

    المؤلفون: Guo, Linyuan, Wang, Jianxin

    المصدر: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) Bioinformatics and Biomedicine (BIBM), 2022 IEEE International Conference on. :328-333 Dec, 2022

    Relation: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

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  5. 5
    دورية أكاديمية
    Nickel‐chelatase activity of SirB variants mimicking the His arrangement in the naturally occurring nickel‐chelatase CfbA

    المؤلفون: Yuuma Oyamada, Shoko Ogawa, Takashi Fujishiro

    المصدر: FEBS Open Bio, Vol 14, Iss 8, Pp 1291-1302 (2024)

    مصطلحات موضوعية: chelatase, mutagenesis, nickel, porphyrin, protein–ligand docking, Biology (General), QH301-705.5

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/2211-5463

    URL الوصول: https://doaj.org/article/4f3fbea773474cb69a8c6bbd8336b8ba

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  6. 6
    دورية أكاديمية
    Vibrational spectra, molecular structure, electronic, pharmaceutical and bonding nature of (4S)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol - anti hypertension agent

    المؤلفون: J.D. Marlin Leena, S. Stella Mary, P. Sangeetha, R. Girija, P. Manikandan, Saleem Javed, A. Manikandan, S. Muthu

    المصدر: Chemical Physics Impact, Vol 8, Iss , Pp 100532- (2024)

    مصطلحات موضوعية: DFT, FT-IR, MESP, NBO, Protein-ligand docking, Physics, QC1-999, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2667022424000768; https://doaj.org/toc/2667-0224

    URL الوصول: https://doaj.org/article/74dbd1dc521c4c228580bcab11c1f280

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  7. 7
    دورية أكاديمية
    QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking

    المؤلفون: Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama

    المصدر: Entropy, Vol 26, Iss 5, p 397 (2024)

    مصطلحات موضوعية: protein–ligand docking, flexible docking, compound fragment, combinatorial optimization, quantum annealing, simulated quantum annealer, Science, Astrophysics, QB460-466, Physics, QC1-999

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1099-4300/26/5/397; https://doaj.org/toc/1099-4300

    URL الوصول: https://doaj.org/article/076aad97e61e42179ee47cf7c82c7a7e

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  8. 8
    دورية أكاديمية
    Quantum Computational, Molecular structure interaction, Bonding, Spectral and Hiershfeld surface analysis of -2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose-Anti-Hematologic cancer agent.

    المؤلفون: K. Vedhapriya, G. Balaji, S. Sakthivel, Saleem Javed, M. Thirunavukkarasu, S. Muthu

    المصدر: Chemical Physics Impact, Vol 7, Iss , Pp 100262- (2023)

    مصطلحات موضوعية: FMO, DFT, Hiershfeld analysis, green solvents, Protein-ligand docking, Physics, QC1-999, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2667022423001020; https://doaj.org/toc/2667-0224

    URL الوصول: https://doaj.org/article/3839e99210964c8c892e8106c0b24a56

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  9. 9
    دورية أكاديمية
    Evolution and functional role prediction of the CYP6DE and CYP6DJ subfamilies in Dendroctonus (Curculionidae: Scolytinae) bark beetles

    المؤلفون: J. Manuel Quijano-Barraza, Gerardo Zúñiga, Claudia Cano-Ramírez, María Fernanda López, Gema L. Ramírez-Salinas, Moises Becerril

    المصدر: Frontiers in Molecular Biosciences, Vol 10 (2023)

    مصطلحات موضوعية: cytochrome P450, detoxification, dendroctonus, functional divergence, protein-ligand docking, birth-death model, Biology (General), QH301-705.5

    وصف الملف: electronic resource

    Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2023.1274838/full; https://doaj.org/toc/2296-889X

    URL الوصول: https://doaj.org/article/611d0ed2b9b1444ba7659cb2b2e10333

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  10. 10
    دورية أكاديمية
    CSAlign and CSAlign-Dock: Structure alignment of ligands considering full flexibility and application to protein–ligand docking

    المؤلفون: Sohee Kwon, Chaok Seok

    المصدر: Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 1-10 (2023)

    مصطلحات موضوعية: Structure alignment, Protein–ligand docking, Virtual screening, Structure-based drug discovery, Biotechnology, TP248.13-248.65

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2001037022005414; https://doaj.org/toc/2001-0370

    URL الوصول: https://doaj.org/article/3d8f5bd0e38d4635aebedf6fef116a26

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