Hakutulokset - "molecular dynamics"

Menthol carbonates as potent antiparasitic agents: synthesis and in vitro studies along with computer-aided approaches Tekijä Camila M. Clemente, Sara M. Robledo, Soledad Ravetti

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Computational and ADMET Predictions of Novel Compounds as Dual Inhibitors of BuChE and GSK-3β to Combat Alzheimer's Disease Tekijä Saurabh G. Londhe, Vinayak Walhekar, Mangala Shenoy, Suvarna G. Kini, Marcus T. Scotti, Luciana Scotti, Dileep Kumar

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Feasibility and mechanism analysis of Reduning in the prevention of sepsis-induced pulmonary fibrosis Tekijä Ziyi Wang, Yuxin Liu, Feng Chen, Haiyan Liao, Xuesong Wang, Zhe Guo, Zhong Wang

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In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus Tekijä Abhishek Ghosh, Parthasarathi Panda, Amit Kumar Halder, Amit Kumar Halder, Maria Natalia D. S. Cordeiro

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Identification of highly effective inhibitors against SARS-CoV-2 main protease: From virtual screening to in vitro study Tekijä Hu Wang, Jun Wen, Yang Yang, Hailin Liu, Song Wang, Xiaoli Ding, Chunqiao Zhou, Xuelin Zhang

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Insights into the Molecular Mechanisms of Eg5 Inhibition by (+)-Morelloflavone Tekijä Tomisin Happy Ogunwa, Emiliano Laudadio, Roberta Galeazzi, Takayuki Miyanishi

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Small-Molecule Intervention At The Dimerization Interface Of Survivin By Novel Rigidized Scaffolds Tekijä Ibrahim TM, Ernst C, Lange A, Hennig S, Boeckler FM

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Discovery of Novel HPK1 Inhibitors Through Structure-Based Virtual Screening Tekijä Huizhen Ge, Lizeng Peng, Zhou Sun, Huanxiang Liu, Yulin Shen, Xiaojun Yao

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Roles for Countercharge in the Voltage Sensor Domain of Ion Channels Tekijä James R. Groome, Landon Bayless-Edwards, Landon Bayless-Edwards

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Kinetics of Drug Release from Clay Using Enhanced Sampling Methods Tekijä Ana Borrego-Sánchez, Jayashrita Debnath, Michele Parrinello

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Evolutionary analysis of galectins and identification of potential galectin-1 inhibitors: A computational approach Tekijä Vipperla Bhavaniprasad, Krishnan Anbarasu, Sivaraman Jayanthi

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Network Pharmacology-Based Strategy Combined with Molecular Docking and in vitro Validation Study to Explore the Underlying Mechanism of Huo Luo Xiao Ling Dan in Treating Atheroscl... Tekijä Sun T, Quan W, Peng S, Yang D, Liu J, He C, Chen Y, Hu B, Tuo Q

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Cepharanthine induces ROS stress in glioma and neuronal cells via modulation of VDAC permeability Tekijä Karolina Cierluk, Wojciech Szlasa, Joanna Rossowska, Mounir Tarek, Anna Szewczyk, Jolanta Saczko, Julita Kulbacka

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Bisphenol F and Bisphenol S in a Complex Biomembrane: Comparison with Bisphenol A Tekijä José Villalaín

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Recent Advances in Simulation Studies on the Protein Corona Tekijä Hwankyu Lee

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Molecular docking and dynamics analysis of halogenated imidazole chalcone as anticancer compounds Tekijä Winarto Haryadi, Harno Dwi Pranowo

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Acipimox inhibits human carbonic anhydrases Tekijä Mattia Mori, Claudiu T. Supuran

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Structural and Dynamics Perspectives on the Binding of Substrate and Inhibitors in Mycobacterium tuberculosis DHFR Tekijä Pimonluck Sittikornpaiboon, Pisanu Toochinda, Luckhana Lawtrakul

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Evolutionary analysis of galectins and identification of potential galectin-1 inhibitors: A computational approach Tekijä Vipperla Bhavaniprasad, Krishnan Anbarasu, Sivaraman Jayanthi

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Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model Tekijä Jing-Wei Liang, Ming-Yang Wang, Shan Wang, Shi-Long Li, Wan-Qiu Li, Fan-Hao Meng

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