Suchergebnisse - "molecular dynamics"

Simulating Defensive Trajectories in American Football for Predicting League Average Defensive Movements von Marc Schmid, Patrick Blauberger, Martin Lames

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Amphiphilic small molecular mates match hydrophobic drugs to form nanoassemblies based on drug-mate strategy von Leiqiang Han, Shuang Liang, Weiwei Mu, Zipeng Zhang, Limin Wang, Shumin Ouyang, Bufan Yao, Yongjun Liu, Na Zhang

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Flavonoids as Potential anti-MRSA Agents through Modulation of PBP2a: A Computational and Experimental Study von Hani A. Alhadrami, Ahmed A. Hamed, Hossam M. Hassan, Lassaad Belbahri, Mostafa E. Rateb, Ahmed M. Sayed

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Rutin, A Natural Inhibitor of IGPD Protein, Partially Inhibits Biofilm Formation in Staphylococcus xylosus ATCC700404 in vitro and in vivo von Qianwei Qu, Wenqiang Cui, Wenqiang Cui, Xiaoxu Xing, Rongfeng Zou, Xingyu Huang, Xiaozhen Wang, Tong Wu, God'spower Bello-Onaghise, God'spower Bello-Onaghise, Shuguang Yuan, Yanhua Li

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Investigating Potential Cancer Therapeutics: Insight into Histone Deacetylases (HDACs) Inhibitions von Basharat Ahmad, Aamir Saeed, Ahmed Al-Amery, Ismail Celik, Iraj Ahmed, Muhammad Yaseen, Imran Ahmad Khan, Dhurgham Al-Fahad, Mashooq Ahmad Bhat

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Theoretical Study at the Molecular Mechanics Level of the Interaction of Tetracycline and Chloramphenicol with the Antibiotic Receptors Present in <em>Enterococcus faecalis</em> (Q... von Rufo Alberto Figueroa-Banda, Kimberly Francis Figueroa-Castellanos, Edith Angelica Chávez-Oblitas, María Elena Guillen-Nuñez, Flor Ayqui-Cueva, Bruno A. Del-, Karen L. Bellido-Vallejo, Badhin Gómez

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3D-QSAR and docking studies of arylmethylamine-based DPP IV inhibitors von Chaoyi Jiang, Shuang Han, Tiegang Chen, Jianzhong Chen

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Therapeutic effects of Guilu-Erxian-Glue treatment on oligoasthenospermia: Evidence from network pharmacology, molecular docking, and in vivo experimental validation von Jin Ding, Wen Sheng, Baowei Lu, Lumei Liu, Qinghu He

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Mechanisms Underlying Gastrodin Alleviating Vincristine-Induced Peripheral Neuropathic Pain von Xiangyu Wang, Boxuan Zhang, Xuedong Li, Xuedong Li, Xingang Liu, Songsong Wang, Yuan Xie, Jialing Pi, Zhiyuan Yang, Jincan Li, Qingzhong Jia, Qingzhong Jia, Qingzhong Jia, Qingzhong Jia, Yang Zhang, Yang Zhang

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Allosteric inhibition of carnosinase (CN1) by inducing a conformational shift von Verena Peters, Claus P. Schmitt, Tim Weigand, Kristina Klingbeil, Christian Thiel, Antje van den Berg, Vittorio Calabrese, Peter Nawroth, Thomas Fleming, Elisabete Forsberg, Andreas H. Wagner, Markus Hecker, Giulio Vistoli

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Hepatocyte cholesterol content modulates glucagon receptor signalling von Emma Rose McGlone, T. Bertie Ansell, Cecilia Dunsterville, Wanling Song, David Carling, Alejandra Tomas, Stephen R. Bloom, Mark S.P. Sansom, Tricia Tan, Ben Jones

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Immunoinformatic of novel self-amplifying mRNA vaccine lipid nanoparticle against SARS-CoV-2 von Turmidzi Fath, Endang Winiati Bachtiar, Gulimiran Alitongbieke, Yutian Pan, Yuanqing Hu, Retno Widowati

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Chemical Constituents, In Vitro Antioxidant Activity and In Silico Study on NADPH Oxidase of <i>Allium sativum</i> L. (Garlic) Essential Oil von Oscar Herrera-Calderon, Luz Josefina Chacaltana-Ramos, Irma Carmen Huayanca-Gutiérrez, Majed A. Algarni, Mohammed Alqarni, Gaber El-Saber Batiha

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Identifying potential ligand molecules EGFR mediated TNBC targeting the kinase domain-identification of customized drugs through in silico methods von Hima Vyshnavi, Krishnan Namboori

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Leonotis ocymifolia (Burm.f.) Iwarsson aerial parts aqueous extract mitigates cisplatin-induced nephrotoxicity via attenuation of inflammation, and DNA damage von Afoua Mufti, Anouar Feriani, Wafae Ouchari, Yasmine M. Mandour, Nizar Tlili, Mohammed Auwal Ibrahim, Mona F. Mahmoud, Mansour Sobeh

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Probing antibacterial drugs for Fusobacterium nucleatum subsp. nucleatum ATCC 25586 targeting UDP-N-acetylglucosamine 1-carboxyltransferase von Dewi Saputri, Zaki Mubarak, Mudatsir Mudatsir, Inda Setyawati, Aprijal Ghiyas Setiawan, Mahdi Abrar

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Geranii Herba as a Potential Inhibitor of SARS-CoV-2 Main 3CL^pro, Spike RBD, and Regulation of Unfolded Protein Response: An In Silico Approach von Selvaraj Arokiyaraj, Antony Stalin, Balakrishnan Senthamarai Kannan, Hakdong Shin

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Unravelling driver genes as potential therapeutic targets in ovarian cancer via integrated bioinformatics approach von Anam Beg, Rafat Parveen, Hassan Fouad, M. E. Yahia, Azza S. Hassanein

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Current Strategies and Applications for Precision Drug Design von Chen Wang, Chen Wang, Chen Wang, Pan Xu, Pan Xu, Luyu Zhang, Jing Huang, Jing Huang, Kongkai Zhu, Cheng Luo, Cheng Luo

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The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer von Dmitry Morozov, Vladimir Mironov, Roman V. Moryachkov, Irina A. Shchugoreva, Polina V. Artyushenko, Galina S. Zamay, Olga S. Kolovskaya, Tatiana N. Zamay, Alexey V. Krat, Dmitry S. Molodenskiy, Vladimir N. Zabluda, Dmitry V. Veprintsev, Alexey E. Sokolov, Ruslan A. Zukov, Maxim V. Berezovski, Felix N. Tomilin, Dmitri G. Fedorov, Yuri Alexeev, Anna S. Kichkailo

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