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» Welcome! Welcome, NMR world! Our visitors map. » Log in User Name Remember Me? Not a member yet? Register Now! Password [NMR paper] Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro Nov 28, 2023 - 4:49 AM - by nmrlearner Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro The dengue protease NS2B/NS3pro has been reported to adopt either an 'open' or a 'closed' conformation. We have developed a conformational filter that combines NMR with MD simulations to identify conformational ensembles that dominate in solution. Experimental values derived from relaxation parameters for the backbone and methyl side chains were compared with the corresponding back-calculated relaxation parameters of different conformational ensembles obtained from free MD simulations. Our... More... 0 Replies | 294 Views [NMR paper] Relaxation-Assisted Magnetization Transfer Phenomena for a Sensitivity-Enhanced 2D NMR Nov 27, 2023 - 1:27 PM - by nmrlearner Relaxation-Assisted Magnetization Transfer Phenomena for a Sensitivity-Enhanced 2D NMR 2D NOESY and TOCSY play central roles in contemporary NMR. We have recently discussed how solvent-driven exchanges can significantly enhance the sensitivity of such methods when attempting correlations between labile and nonlabile protons. This study explores two scenarios where similar sensitivity enhancements can be achieved in the absence of solvent exchange: the first one involves biomolecular paramagnetic systems, while the other involves small organic molecules in natural abundance. It is... More... 0 Replies | 183 Views [NMR paper] Study on the acute toxicity of trichlorfon and its breakdown product dichlorvos to goldfish (Carassius auratus) based on 1H NMR metabonomics Nov 26, 2023 - 2:01 AM - by nmrlearner Study on the acute toxicity of trichlorfon and its breakdown product dichlorvos to goldfish (Carassius auratus) based on 1H NMR metabonomics Trichlorfon, one of the most widely used organophosphate insecticides, is commonly employed in aquaculture and agriculture to combat parasitic infestations. However, its inherent instability leads to rapid decomposition into dichlorvos (DDVP), increasing its toxicity by eightfold. Therefore, the environmental effects of trichlorfon in real-world scenarios involve the combined effects of trichlorfon and its degradation product, DDVP. In this study, we systematically investigated the degradation... More... 0 Replies | 258 Views Kanazawa University research: Researchers fix the chirality of helical proteins - Benzinga Nov 25, 2023 - 1:32 PM - by nmrlearner Kanazawa University research: Researchers fix the chirality of helical proteins - Benzinga Kanazawa University research: Researchers fix the chirality of helical proteins Benzinga Read here 0 Replies | 111 Views New way of machining tiny diamond rotors could improve protein studies - Phys.org Nov 25, 2023 - 1:32 PM - by nmrlearner New way of machining tiny diamond rotors could improve protein studies - Phys.org New way of machining tiny diamond rotors could improve protein studies Phys.org Read here 0 Replies | 114 Views Solanum lycopersicum heme-binding protein 2 as a potent ... - Nature.com Nov 24, 2023 - 11:06 PM - by nmrlearner Solanum lycopersicum heme-binding protein 2 as a potent ... - Nature.com Solanum lycopersicum heme-binding protein 2 as a potent ... Nature.com Read here 0 Replies | 118 Views [NMR paper] Continuous Nanospace in Nanoporous Liquid Crystal Investigated by 129Xe NMR Spectroscopy Nov 24, 2023 - 10:24 AM - by nmrlearner Continuous Nanospace in Nanoporous Liquid Crystal Investigated by 129Xe NMR Spectroscopy Angewandte Chemie International Edition, EarlyView. More... 0 Replies | 263 Views [NMR paper] Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction Nov 23, 2023 - 10:09 AM - by nmrlearner Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction Chemical shift assignment is vital for nuclear magnetic resonance (NMR)-based studies of protein structures, dynamics, and interactions, providing crucial atomic-level insight. However, obtaining chemical shift assignments is labor intensive and requires extensive measurement time. To address this limitation, we previously proposed ARTINA, a deep learning method for automatic assignment of two-dimensional (2D)-4D NMR spectra. Here, we present an integrative approach that combines ARTINA with... More... 0 Replies | 289 Views Page 46 of 100 « First < 36 44 45 46 47 48 56 96 > Last »

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