Torthaí cuardaigh - "molecular dynamics"

Dendrimers as Antiamyloid Agents de réir Svetlana A. Sorokina, Zinaida B. Shifrina

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Bioinformatics and immunoinformatics assisted multiepitope vaccine construct against Burkholderia anthina de réir Maha A. Alshiekheid, Ali M. Dou, Mohammad Algahtani, Wafa Abdullah I. Al-Megrin, Yaseer Ali Alhawday, Arwa Essa Alradhi, Khulud Bukhari, Basmah F. Alharbi, Ahmed N. Algefary, Basmah Awwadh Alhunayhani, Khaled S. Allemailem

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In silico prediction of post-translational modifications in therapeutic antibodies de réir Shabdita Vatsa

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Computer-aided drug design for virtual-screening and active-predicting of main protease (Mpro) inhibitors against SARS-CoV-2 de réir Renhui Dai, Hongwei Gao, Ruiling Su

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Adamantane-derived scaffolds targeting the sigma-2 receptor; an in vitro and in silico study de réir Mohammed A. Alamri, Mubarak A. Alamri

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Review on Pickering emulsions stabilized by adsorbed nanoparticles: Structure, Thermodynamics, Cage Effect and Subdiffusion de réir M Benhamou, S El-Moudny

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Discovery of potential drugs for human-infecting H7N9 virus containing R294K mutation de réir He JY, Li C, Wu G

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Repurposing strategies on pyridazinone-based series by pharmacophore- and structure-driven screening de réir Giuseppe Floresta, Letizia Crocetti, Maria Paola Giovannoni, Pierfrancesco Biagini, Agostino Cilibrizzi

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Bacterial Lectin FimH and Its Aggregation Hot-Spots: An Alternative Strategy against Uropathogenic <i>Escherichia coli</i> de réir Georgia I. Nasi, Konstantina I. Georgakopoulou, Marilena K. Theodoropoulou, Nikos C. Papandreou, Evangelia D. Chrysina, Paraskevi L. Tsiolaki, Vassiliki A. Iconomidou

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Exploring Substituted Tetrazoloquinazoline: Biological Activities, Molecular Docking Analysis, and Anti-Breast Cancer MCF7/HER2 Effects de réir Neni Frimayanti, Ihsan Ikhtiarudin, Rahma Dona, Rahul Oktarizal, Aprilia Cindy Nurfatimah

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Development of terphenyl-2-methyloxazol-5(4H)-one derivatives as selective reversible MAGL inhibitors de réir Carlotta Granchi, Isabella Caligiuri, Eleonora Bertelli, Giulio Poli, Flavio Rizzolio, Marco Macchia, Adriano Martinelli, Filippo Minutolo, Tiziano Tuccinardi

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Opportunities and Challenges for In Silico Drug Discovery at Delta Opioid Receptors de réir Yazan J. Meqbil, Richard M. van Rijn

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From seeds to survival rates: investigating Linum usitatissimum's potential against ovarian cancer through network pharmacology de réir Mohammed Monirul Islam, Nagaraja Sreeharsha, Nagaraja Sreeharsha, Fahad M. Alshabrmi, Afzal Haq Asif, Bandar Aldhubiab, Md Khalid Anwer, Rajendiran Krishnasamy, Abdur Rehman

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Computer-designed orthogonal RNA aptamers programmed to recognize Ebola virus glycoproteins de réir Yue Teng, Shuxia Liu, Shan Yang, Xiaocan Guo, Yanwen Zhang, Yajun Song, Yujun Cui

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Molecular docking study of Zingiber officinale Roscoe compounds as a mumps virus nucleoprotein inhibitor de réir Viol Dhea Kharisma, Santika Lusia Utami, Wahyu Choirur Rizky, Tim Godefridus Antonius Dings, Md Emdad Ullah, Vikash Jakhmola, Alexander Patera Nugraha

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A Closer Look at Dexamethasone and the SARS-CoV-2-Induced Cytokine Storm: In Silico Insights of the First Life-Saving COVID-19 Drug de réir Paul Morgan, Shareen J. Arnold, Nai-Wan Hsiao, Chih-Wen Shu

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Development of synthetic high-density lipoprotein-based ApoA-I mimetic peptide-loaded docetaxel as a drug delivery nanocarrier for breast cancer chemotherapy de réir Miaomiao Gong, Qi Zhang, Qi Zhao, Jiani Zheng, Yue Li, Siling Wang, Yue Yuan

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Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm de réir Wei Wang, Shuo Feng, Zhuyifan Ye, Hanlu Gao, Jinzhong Lin, Defang Ouyang

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Identification of Potential RBPJ-Specific Inhibitors for Blocking Notch Signaling in Breast Cancer Using a Drug Repurposing Strategy de réir Mengjie Rui, Min Cai, Yu Zhou, Wen Zhang, Lianglai Gao, Ke Mi, Wei Ji, Dan Wang, Chunlai Feng

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Novel Indole-Tethered Chromene Derivatives: Synthesis, Cytotoxic Properties, and Key Computational Insights de réir M. Shaheer Malik, Hissana Ather, Shaik Mohammad Asif Ansari, Ayesha Siddiqua, Qazi Mohammad Sajid Jamal, Ali H. Alharbi, Munirah M. Al-Rooqi, Rabab S. Jassas, Essam M. Hussein, Ziad Moussa, Rami J. Obaid, Saleh A. Ahmed

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