Sökresultat - "molecular dynamics"

Screening the components of Saussurea involucrata for novel targets for the treatment of NSCLC using network pharmacology av Dongdong Zhang, Tieying Zhang, Yao Zhang, Zhongqing Li, He Li, Yueyang Zhang, Chenggong Liu, Zichao Han, Jin Li, Jianbo Zhu

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In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19 av Anirudh Pratap Singh Raman, Kamlesh Kumari, Pallavi Jain, Vijay Kumar Vishvakarma, Ajay Kumar, Neha Kaushik, Eun Ha Choi, Nagendra Kumar Kaushik, Prashant Singh

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Lysine Dendrigraft Nanocontainers. Influence of Topology on Their Size and Internal Structure av Boris Okrugin, Maxim Ilyash, Denis Markelov, Igor Neelov

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Discovery of inhibitors of MDM2 against nasopharyngeal cancer: an In-Silico Investigation / Juliyan Gunasinghe... [et.al.] av Gunasinghe, Juliyan, Abu Talib, Muhammad Iqbal, Cheah, Stephanie, Runnie Ginjom, Irine, Lee, Sue Han, Chee, Xavier Wezen

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Modeling the human Nav1.5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade av Ahmed M, Jalily Hasani H, Ganesan A, Houghton M, Barakat K

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Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosid... av Yuanyue Zhang, Shengbao Cai, Shuang Ma, Shuai Zhao, Junjie Yi, Linyan Zhou

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SIMULATION OF VINPOCETINE RELEASE PROCESS FROM MICROCAPSULES WITH HYDROPHOBIC SHELL av Yu. A. Polkovnikova, A. A. Glushko, I. Yu. Mikhailovskaya, Yo. S. Karieva

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Molecular simulation studies of 3,3'-Diindolylmethane as a Potent MicroRNA-21 Antagonist av Md Junaid, Raju Dash, Nazrul Islam, Jui Chowdhury, Md. Jahangir Alam, Saikat Dev Nath, Mohammad Abu Sayem Shakil, Ashifa Azam, Syed Mustyen Quader, S M Zahid Hosen

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A Hypothesized Mechanism for Chronic Pancreatitis Caused by the N34S Mutation of Serine Protease Inhibitor Kazal-Type 1 Based on Conformational Studies av Kulke M, Nagel F, Schulig L, Geist N, Gabor M, Mayerle J, Lerch MM, Link A, Delcea M

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Preparing a database of corrected protein structures important in cell signaling pathways av Samaneh Hatami, Hajar Sirous, Karim Mahnam, Aylar Najafipour, Afshin Fassihi

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Design and computational study of the thiourea-cobalt(III) complex as an anticancer candidate av Ruswanto Ruswanto, Richa Mardianingrum, Tita Nofianti, Anindita Tri Kusuma Pratita, Fahmi Muhamad Naser, Siswandono Siswandono

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Design, synthesis, and biological evaluation of novel EF24 and EF31 analogs as potential I&kappa;B kinase &beta; inhibitors for the treatment of pancreatic cancer av Xie X, Tu J, You H, Hu B

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Lead compound discovery using pharmacophore-based models of small-molecule metabolites from human blood as inhibitor cellular entry of SARS-CoV-2 av Ellin Febrina, Aiyi Asnawi

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Exploring the Antiviral Potential of <i>Artemisia annua</i> Through JAK-STAT Pathway Targeting: A Network Pharmacology Approach av Mebarka Ouassaf, Lotfi Bourougaa, Farial Bahaz, Bader Y. Alhatlani

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Anxiolytic effect of YangshenDingzhi granules: Integrated network pharmacology and hippocampal metabolomics av Shimeng Lv, Weibo Dai, Yan Zheng, Ping Dong, Yihong Yu, Yifan Zhao, Shiguang Sun, Dezhong Bi, Chuanguo Liu, Fabin Han, Jibiao Wu, Tingting Zhao, Yuexiang Ma, Feng Zheng, Peng Sun

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De novo design of mIDH1 inhibitors by integrating deep learning and molecular modeling av Dingkang Sun, Lulu Xu, Mengfan Tong, Zhao Wei, Weitong Zhang, Jialong Liang, Xueying Liu, Yuwei Wang

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Dioxygen, an unexpected carbonic anhydrase ligand av Marta Ferraroni, Roberto Gaspari, Andrea Scozzafava, Andrea Cavalli, Claudiu T. Supuran

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Human DNA Telomeres in Presence of Oxidative Lesions: The Crucial Role of Electrostatic Interactions on the Stability of Guanine Quadruplexes av Cecilia Hognon, Adrien Gebus, Giampaolo Barone, Antonio Monari

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Daucosterol derived from Cordyceps (a Traditional Chinese Medicine) as a possible lead compound for allergic transfusion reactions av Jian Yang, Ji-Xia Li, Zhe Song, Xi-Yan Xia

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Prediction of Phytochemicals for Their Potential to Inhibit New Delhi Metallo β-Lactamase (NDM-1) av Zainab Bibi, Irfa Asghar, Naeem Mahmood Ashraf, Iftikhar Zeb, Umer Rashid, Arslan Hamid, Maria Kanwal Ali, Ashraf Atef Hatamleh, Munirah Abdullah Al-Dosary, Raza Ahmad, Muhammad Ali

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