يعرض 1 - 10 نتائج من 2,735 نتيجة بحث عن '"MM/PBSA"', وقت الاستعلام: 1.20s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Repurposing of FDA-approved drugs against oligomerization domain of dengue virus NS1 protein: a computational approach

    المؤلفون: Chaudhuri, Dwaipayan, Ghosh, Medha, Majumder, Satyabrata, Giri, KalyanAff1, IDs11030024109363_cor4

    المصدر: Molecular Diversity. :1-21

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  2. 2
    دورية أكاديمية
    Detection of Ochratoxin A Mycotoxin with Graphene Nanosheets Functionalized with Selective Peptides Using Molecular Dynamics

    المؤلفون: Algethami, Faisal K.Aff1, IDs13369024089100_cor1, Mastouri, Mohamed, Rabti, AmalAff2, Aff3, Ben Aoun, Sami, El Ghoul, Saoussen, Mosbah, Amor, Elamin, Mohamed R., Raouafi, NoureddineAff2, IDs13369024089100_cor8

    المصدر: Arabian Journal for Science and Engineering. 49(7):9557-9568

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  3. 3
    دورية أكاديمية
    Study of Glabranin as an Inhibitor Against Prostate Cancer: Molecular Docking, Molecular Dynamics Simulation, MM-PBSA Calculation and QSAR Prediction

    المؤلفون: Browne, Rene Barbie, Goswami, Nabajyoti, Borah, Probodh, Roy, Jayanti DattaAff4, IDs12291023011343_cor4

    المصدر: Indian Journal of Clinical Biochemistry. 39(3):331-343

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  4. 4
    دورية أكاديمية
    Discovery of natural dual inhibitors from ZINC database targeting thymic stromal lymphopoietin (TSLP) and interleukin-33 (IL-33) as potential anti-allergy agents

    المؤلفون: Adamu, Rahma Muhammad, Ibrahim, Mohammed Auwal, Uba, Abdullahi Ibrahim, Fadare, Olatomide A., Muthukumaran, JayaramanAff1, IDs1169602403471w_cor5

    المصدر: Chemical Papers. 78(9):5333-5348

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  5. 5
    دورية أكاديمية
    Repurposing of drug molecules from FDA database against Hepatitis C virus E2 protein using ensemble docking approach

    المؤلفون: Chaudhuri, Dwaipayan, Datta, Joyeeta, Majumder, Satyabrata, Giri, KalyanAff1, IDs11030023106462_cor4

    المصدر: Molecular Diversity. 28(3):1175-1188

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  6. 6
    دورية أكاديمية
    Integrated machine learning-based virtual screening and biological evaluation for identification of potential inhibitors against cathepsin K

    المؤلفون: Parwez, ShahidAff1, Aff2, Chaurasia, AnimeshAff1, Aff2, Mahapatra, Pinaki ParsadAff1, Aff2, Ahmed, ShakilAff1, Aff2, Siddiqi, Mohammad ImranAff1, Aff2, IDs11030024108455_cor5

    المصدر: Molecular Diversity. :1-16

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  7. 7
    دورية أكاديمية
    Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations

    المؤلفون: Tong, Jian-BoAff1, Aff2, IDs1103002310611z_cor1, Xiao, Xue-ChunAff1, Aff2, Luo, DingAff3, Aff4, Xu, Hai-YinAff1, Aff2, Xing, Yi-ChuangAff1, Aff2, Gao, PengAff1, Aff2, Liu, YuanAff1, Aff2

    المصدر: Molecular Diversity. 28(2):671-692

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  8. 8
    دورية أكاديمية
    Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

    المؤلفون: Devi, Bharti, Vasishta, Sumukh Satyanarayana, Das, Bhanuranjan, Baidya, Anurag T. K., Rampa, Rahul Salmon, Mahapatra, Manoj Kumar, Kumar, RajnishAff1, IDs11030023106088_cor7

    المصدر: Molecular Diversity. 28(2):649-669

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  9. 9
    دورية أكاديمية
    Lumacaftor as a potential repurposed drug in targeting breast cancer stem cells: insights from in silico study

    المؤلفون: Pathak, Yamini, Camps, IhosvanyAff2, Aff3, Yadav, Manju, Mishra, Amaresh, Upadhyay, Jyoti, Tripathi, VishwasAff1, IDs00894024059905_cor6

    المصدر: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 30(7)

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  10. 10
    دورية أكاديمية
    A combination of virtual screening, molecular dynamics simulation, MM/PBSA, ADMET, and DFT calculations to identify a potential DPP4 inhibitor

    المؤلفون: Fateme Zare, Elaheh Ataollahi, Pegah Mardaneh, Amirhossein Sakhteman, Valiollah Keshavarz, Aida Solhjoo, Leila Emami

    المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)

    مصطلحات موضوعية: DPP4 inhibitor, Structure-based virtual screening, Molecular dynamics simulation, MM/PBSA, DFT, ADMET, Medicine, Science

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/2045-2322

    URL الوصول: https://doaj.org/article/67a370535cbc468d829cf25671518d5c

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