Investigating the Compatibility of Various Components in Marine Low-Sulfur Fuel Oil by Molecular Dynamics Simulations von Zhou, Daping, Wei, Haijun, Xue, Shuye, Qiu, Ye, Wu, Shen, Yu, Haijie

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Biological Activity of Selected Compounds from Annona muricata Seed as Antibreast Cancer Agents: Theoretical Study von Oyedepo, Temitope A., Oyawoye, Olubukola Monisola, Tolufashe, Gideon Femi, Oyebamiji, Abel Kolawole, Semire, Banjo

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Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA von Jung-Rodriguez, Emma, Barbault, Florent, Bignon, Emmanuelle, Monari, Antonio

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Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors von Hu, Rongjing, Barbault, Florent, Delamar, Michel, Zhang, Ruisheng

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Design, Synthesis, and Biological Evaluation of N-Carboxyphenylpyrrole Derivatives as Potent HIV Fusion Inhibitors Targeting gp41 von Liu, Kun, Lu, Hong, Hou, Ling, Qi, Zhi, Teixeira, Cátia, Barbault, Florent, Fan, Bo-Tao, Liu, Shuwen, Jiang, Shibo, Xie, Lan

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Theobroma cacao improves bone growth by modulating defective ciliogenesis in a mouse model of achondroplasia von Martin, Ludovic, Kaci, Nabil, Benoist-Lasselin, Catherine, Mondoloni, Marine, Decaudaveine, Suzanne, Estibals, Valentin, Cornille, Maxence, Loisay, Léa, Flipo, Justine, Demuynck, Benoît, de la Luz Cádiz-Gurrea, Maria, Barbault, Florent, Fernández-Arroyo, Salvador, Schibler, Laurent, Segura-Carretero, Antonio, Dambroise, Emilie, Legeai-Mallet, Laurence

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Interaction between Yersinia pestis Ail Outer Membrane Protein and the C‑Terminal Domain of Human Vitronectin von Vasseur, Laurine, Barbault, Florent, Monari, Antonio

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Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target? von Teixeira, Cátia, Barbault, Florent, Couesnon, Thierry, Gomes, José R B, Gomes, Paula, Maurel, François

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Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency von Belkahla, Hanene, Constantinescu, Andrei Alexandru, Gharbi, Tijani, Barbault, Florent, Chevillot-Biraud, Alexandre, Decorse, Philippe, Micheau, Olivier, Hémadi, Miryana, Ammar, Souad

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Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process von Li, Yan, Barbault, Florent, Delamar, Michel, Zhang, Ruisheng, Hu, Rongjing

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Between Two Walls: Modeling the Adsorption Behavior of β‑Glucosidase A on Bare and SAM-Functionalized Gold Surfaces von Bourassin, Nicolas, Barbault, Florent, Baaden, Marc, Sacquin-Mora, Sophie

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First dual binder of microRNA-146a and monomeric tau: a novel approach for multitargeted therapeutics for neurodegenerative diseases von Gabr, Moustafa T, Barbault, Florent

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Modeling enzymes interacting with functionalized surfaces: lessons from multiscale modeling approaches von Bourassin, Nicolas, Barbault, Florent, Baaden, Marc, Sacquin-Mora, Sophie

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Between two walls: Modeling the adsorption behavior of β-glucosidase A on bare and SAM-functionalised gold surfaces von Bourassin, Nicolas, Barbault, Florent, Baaden, Marc, Sacquin-Mora, Sophie

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Synthesis, Herbicidal Evaluation, and Structure-Activity Relationship of Benzophenone Oxime Ether Derivatives von Zeng, Zhen, Sun, Linhao, Ma, Mingwei, Ma, Jimei, Jiang, Hong

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Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption von Touzeau, Jeremy, Barbault, Florent, Maurel, François, Seydou, Mahamadou

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Computational approach and electrochemical measurements for protein detection with MIP-based sensor von Mazouz, Zouhour, Mokni, Meriem, Fourati, Najla, Zerrouki, Chouki, Barbault, Florent, Seydou, Mahamadou, Kalfat, Rafik, Yaakoubi, Nourdin, Omezzine, Asma, Bouslema, Ali, Othmane, Ali

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Molecular modeling study of binding site selectivity of TQMP to G-quadruplex DNA von Aixiao, Li, François, Maurel, Florent, Barbault, Michel, Delamar, Baoshan, Wang, Xiang, Zhou, Ping, Wang

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A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling von Korovitch, Alexandre, Le Roux, Antoine, Barbault, Florent, Hémadi, Miryana, Ha-Duong, Nguyêt-Thanh, Lion, Claude, Wagner, Alain, El Hage Chahine, Jean-Michel

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Functional and Structural Characterization of the Arylamine N-Acetyltransferase from the Opportunistic Pathogen Nocardia farcinica von Martins, Marta, Pluvinage, Benjamin, de la Sierra-Gallay, Inès Li, Barbault, Florent, Dairou, Julien, Dupret, Jean-Marie, Rodrigues-Lima, Fernando

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