Search Results - "molecular dynamics"

Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG1 antibody by Jing Dai, Saeed Izadi, Jonathan Zarzar, Patrick Wu, Angela Oh, Paul J. Carter

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Computational Identification of Novel Kir6 Channel Inhibitors by Xingyu Chen, Arthur Garon, Marcus Wieder, Marien J. C. Houtman, Eva-Maria Z, Thierry Langer, Marcel A. G. van der Heyden, Marcel A. G. van der Heyden, Anna Stary-Weinzinger

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Computational Molecular Docking and Simulation-Based Assessment of Anti-Inflammatory Properties of <i>Nyctanthes arbor-tristis Linn</i> Phytochemicals by Varish Ahmad, Mohammad Imran Khan, Qazi Mohammad Sajid Jamal, Faisal A. Alzahrani, Raed Albiheyri

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Immunophenotypic and molecular analysis of human dental pulp stem cells potential for neurogenic differentiation by Nikhat Fatima, Aleem A Khan, Sandeep K Vishwakarma

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Design of Light-Sensitive Triggers for Endothelial NO-Synthase Activation by Sébastien Dilly, Linda J. Roman, Nicolas Bogliotti, Juan Xie, Eric Deprez, Anny Slama-Schwok

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Crystallography, in Silico Studies, and In Vitro Antifungal Studies of 2,4,5 Trisubstituted 1,2,3-Triazole Analogues by Katharigatta N. Venugopala, Mohammed A. Khedr, Yarabahally R. Girish, Subhrajyoti Bhandary, Deepak Chopra, Mohamed A. Morsy, Bandar E. Aldhubiab, Pran Kishore Deb, Mahesh Attimarad, Anroop B. Nair, Nagaraja Sreeharsha, Rashmi V, Mahmoud Kandeel, Sabah H. Akrawi, Madhusudana Reddy M B, Sheena Shashikanth, Osama I. Alwassil, Viresh Mohanlall

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Exome Sequencing Identifies the Extremely Rare ITGAV and FN1 Variants in Early Onset Inflammatory Bowel Disease Patients by Huda Husain Al-Numan, Huda Husain Al-Numan, Rana Mohammed Jan, Rana Mohammed Jan, Najla bint Saud Al-Saud, Omran M. Rashidi, Nuha Mohammad Alrayes, Hadeel A. Alsufyani, Abdulrahman Mujalli, Abdulrahman Mujalli, Noor Ahmad Shaik, Noor Ahmad Shaik, Mahmoud Hisham Mosli, Mahmoud Hisham Mosli, Ramu Elango, Ramu Elango, Omar I. Saadah, Omar I. Saadah, Babajan Banaganapalli, Babajan Banaganapalli

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Integrative Ligand-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Simulation Approaches Identified Potential Lead Compounds against Pancreatic Cancer by Tar... by Mohammad Habibur Rahman Molla, Mohammed Othman Aljahdali, Md Afsar Ahmed Sumon, Amer H. Asseri, Hisham N. Altayb, Md. Shafiqul Islam, Ahad Amer Alsaiari, F. A. Dain Md Opo, Nushrat Jahan, Foysal Ahammad, Farhan Mohammad

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Exploring the Potential Toxicological Mechanisms of Vine Tea on the Liver Based on Network Toxicology and Transcriptomics by Fangyu Xiao, Jihua Qiu, Ying Zhao, Ying Zhao, Ying Zhao

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Inhibition of Nur77 expression and translocation by compound B6 reduces ER stress and alleviates cigarette smoke-induced inflammation and injury in bronchial epithelial cells by Chenli Chang, Fengming He, Mingtao Ao, Jun Chen, Tao Yu, Weiyu Li, Baicun Li, Meijuan Fang, Ting Yang

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2-Arylquinolines as novel anticancer agents with dual EGFR/FAK kinase inhibitory activity: synthesis, biological evaluation, and molecular modelling insights by Mostafa M. Elbadawi, Wagdy M. Eldehna, Amer Ali Abd El-Hafeez, Warda R. Somaa, Amgad Albohy, Sara T. Al-Rashood, Keli K. Agama, Eslam B. Elkaeed, Pradipta Ghosh, Yves Pommier, Manabu Abe

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Optimizing human performance in extreme environments through precision medicine: From spaceflight to high-performance operations on Earth by Michael A. Schmidt, Jeffrey A. Jones, Christopher E. Mason

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Evidence of Strong Guest-Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41 by Teresa Cordeiro, Inês Matos, Florence Danède, João C. Sotomayor, Isabel M. Fonseca, Marta C. Corvo, Madalena Dionísio, María Teresa Viciosa, Frédéric Affouard, Natália T. Correia

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Discovery of pulmonary fibrosis inhibitor targeting TGF-β RI in Polygonum cuspidatum by high resolution mass spectrometry with in silico strategy by Huarong Xu, Jiameng Qu, Jian Wang, Kefei Han, Qing Li, Wenchuan Bi, Ran Liu

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 De novo design of pimarane diterpenoid compounds as potential alternatives to sarecycline for acne vulgaris treatment by Adeola Tawakalitu Kola-Mustapha

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Molecular network characteristics and drug resistance analysis of 392 newly reported MSM HIV/AIDS cases in Chongqing, China by Chongyang Bai, Tianyu Tan, Long Li, Rongrong Lu, Wei Zhang, Ling Ouyang, Guohui Wu, Chao Zhou

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Antimicrobial activity of natural products against MDR bacteria: A scientometric visualization analysis by Yan-Xi Zhou, Yan-Xi Zhou, Xiao-Yu Cao, Cheng Peng

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Astragalin from <i>Thesium chinense</i>: A Novel Anti-Aging and Antioxidant Agent Targeting IGFR/CD38/<i>Sirtuins</i> by Ruifeng Wang, Anping Ding, Jiaye Wang, Jiaxue Wang, Yujie Zhou, Miao Chen, Shuang Ju, Mingpu Tan, Zengxu Xiang

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Discovery of novel anti-tumor compounds targeting PARP-1 with induction of autophagy through in silico and in vitro screening by Danfeng Shi, Qianqian Pang, Qianyu Qin, Xinsheng Yao, Xiaojun Yao, Yang Yu

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Antiviral potential of selenium complexes from Brassicaceae by inhibiting protein bond between MAP4 and the spike of SARS-CoV-2 by Silvi Z. Ilmiyah, Sharida Fakurazi, Agustina T. Endharti, Sofy Permana

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