Результаты поиска - "molecular dynamics"

Studies Calculated a New Chitin Oligomer Binding Site Inside Vicilin: A Potent Antifungal and Insecticidal Agent по Ahsan Saeed, Zahra Rafiq, Muhammad Imran, Qamar Saeed, Muhammad Q. Saeed, Zahid Ali, Rana K. Iqbal, Saber Hussain, Binish Khaliq, Sohaib Mehmood, Ahmed Akrem

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Exploring Moroccan Medicinal Plants for Anticancer Therapy Development Through In Silico Studies по Amal Bouribab, El Mehdi Karim, Meriem Khedraoui, Oussama Abchir, Abdelkbir Errougui, Yasir S. Raouf, Abdelouahid Samadi, Samir Chtita

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Antidiabetic and Antigout Properties of the Ultrasound-Assisted Extraction of Total Biflavonoids from <i>Selaginella doederleinii</i> Revealed by In Vitro and In Silico Studies по Qiong Gao, Lei Qiao, Yiru Hou, Hailin Ran, Feng Zhang, Chao Liu, Juxiang Kuang, Shixing Deng, Yongmei Jiang, Gang Wang, Xin Zhang

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Interactions and effects of food additive dye Allura red on pepsin structure and protease activity; experimental and computational supports по Fatemeh Balaei, Mohabbat Ansari, Negin Farhadian, Sajad Moradi, Mohsen Shahlaei

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Discovery of traditional Chinese medicines against porcine reproductive and respiratory syndrome virus по Wenqiang Cui, Fei Yu, Yuefeng Zhang, Xiao Han, Rongfeng Zou, Yandong Tang, Linguang Wang, Nsabimana Eliphaz, Jian Wang, Shuguang Yuan, Xuehui Cai, Yanhua Li

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Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site по Utid Suriya, Panupong Mahalapbutr, Thanyada Rungrotmongkol

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Predicting deamidation and isomerization sites in therapeutic antibodies using structure-based in silico approaches по David Hoffmann, Joschka Bauer, Markus Kossner, Andrew Henry, Anne R. Karow-Zwick, Giuseppe Licari

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Drug repurposing to tackle parainfluenza 3 based on multi-similarities and network proximity analysis по Xinyue Chen, Bo Zhou, Bo Zhou, Xinyi Jiang, Huayu Zhong, Aijing You, Taiyan Zou, Taiyan Zou, Taiyan Zou, Chengcheng Zhou, Xiaoxiao Liu, Yonghong Zhang, Yonghong Zhang, Yonghong Zhang

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Searching for Hub Genes of Quince-Basil Co-Administration Against Atherosclerosis Using Bioinformatics Analysis and Experimental Validation по Sendaer Hailati, Meng-Yuan Han, Dilihuma Dilimulati, Nuerbiye Nueraihemaiti, Alhar Baishan, Alifeiye Aikebaier, Wen-Ting Zhou

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Advancements in therapeutically-targeting orphan GPCRs по Jennifer eStockert, Lakshmi A. Devi

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Film Dressings Based on Hydrogels: Simultaneous and Sustained-Release of Bioactive Compounds with Wound Healing Properties по Fabian Ávila-Salas, Adolfo Marican, Soledad Pinochet, Gustavo Carreño, Oscar Valdés, Bernardo Venegas, Wendy Donoso, Gustavo Cabrera-Barjas, Sekar Vijayakumar, Esteban F. Durán-Lara

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Computational nanoscience and technology по Amarjitsing Rajput, Ganesh Shevalkar, Krutika Pardeshi, Prashant Pingale

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Ginkgo Biloba Bioactive Phytochemicals against Age-Related Diseases: Evidence from a Stepwise, High-Throughput Research Platform по Yuming Yuan, Xiaoyan Xiang, Xuejun Jiang, Yingju Liu, Ming Zhang, Luyang Lu, Xinping Zhang, Xinyi Liu, Qunyou Tan, Jingqing Zhang

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Biophysical Studies and In Vitro Effects of Tumor Cell Lines of Cannabidiol and Its Cyclodextrin Inclusion Complexes по Kyriaki Hatziagapiou, Kostas Bethanis, Eleni Koniari, Elias Christoforides, Olti Nikola, Athena Andreou, Aimilia Mantzou, George P. Chrousos, Christina Kanaka-Gantenbein, George I. Lambrou

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A Rational Design of α-Helix-Shaped Peptides Employing the Hydrogen-Bond Surrogate Approach: A Modulation Strategy for Ras-RasGRF1 Interaction in Neuropsychiatric Disorders по Maria Rita Gulotta, Riccardo Brambilla, Ugo Perricone, Andrea Brancale

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Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies по Meysam Yazdani, Jafar Khezri, Nastaran Hadizadeh, Javad Zamani Amir Zakaria, Mousa Naderi, Sahar Mahmoodian, Ali Asghar Karkhanei, Farideh Razi, Mohammad Hossein Sanati, Ehsan Hashemi

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Binding of GS-461203 and Its Halogen Derivatives to HCV Genotype 2a RNA Polymerase Drug Resistance Mutants по Muhammad Arba, Setyanto Tri Wahyudi, Muhammad Sulaiman Zubair, Dylan Brunt, Mursalin Singh, Chun Wu

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Structure and function meet at the nicotinic acetylcholine receptor-lipid interface по Francisco J. Barrantes

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Mechanism of electromechanical coupling in voltage-gated potassium channels по Rikard eBlunck, Rikard eBlunck, Zarah eBatulan, Zarah eBatulan

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Molecular docking of secondary metabolites from Indonesian marine and terrestrial organisms targeting SARS-CoV-2 ACE-2, M pro, and PL pro receptors по Gita Syahputra, Nunik Gustini, Bustanussalam Bustanussalam, Yatri Hapsari, Martha Sari, Ardi Ardiansyah, Asep Bayu, Masteria Yunovilsa Putra

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