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1by van der Ent, Florian, Skagseth, Susann, Lund, Bjarte A., Sočan, Jaka, Griese, Julia J., Brandsdal, Bjørn O., Åqvist, Johan“... enzyme-substrate interaction that breaks around room temperature. Here, we report a computational...”
Published in Science Advances (2023)
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2by Hediger, Martin R., De Vico, Luca, Svendsen, Allan, Besenmatter, Werner, Jensen, Jan H.“...We present a fast computational method to efficiently screen enzyme activity. In the presented...”
Published in PLoS ONE (2012)
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3“...Computational conformational searches of putative transition states of the reaction of sucrose...”
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4“...We consider a methodology for organizing hybrid computing structures to simulate abrupt changes...”
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6“.... Computed barriers for this mechanism at DLPNO/CCSD(T)‐def2‐TZVP are in excellent agreement...”
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7by MATSUMOTO, Naoya, SAWAYAMA, Nanako, ITOH, Megumi, TOYOTOME, Takahito, YAMADA, Kazutaka“... volume using computed tomography (CT) to evaluate the respiratory condition of penguins. In a regular...”
Published in Journal of Veterinary Medical Science (2022)
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8by Kuijpers, Nienke W., van Schalkwijk, Linde, IJsseldijk, Lonneke L., Willems, Dorien S., Veraa, Stefanie“... aimed to describe lung changes visible in computed tomographic (CT) images of recently deceased harbor...”
Published in Animals (2022)
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9“... myoglobin and its Phe29 mutant are studied computationally. An explicit solvent model is employed in which...”
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10by Galmés, Miquel À., Nödling, Alexander R., He, Kaining, Luk, Louis Y. P., Świderek, Katarzyna, Moliner, Vicent“..., computer-based options to redesign catalytically active proteins are rather limited. Here, a rational QM/MM...”
Published in Chemical Science (2022)
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11“... as output link. We used a computer model to simulate contraction of the four major muscles, with the LP...”
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12by ISHIGURO, Naotaka, INOSHIMA, Yasuo, SASAKI, Motoki“... to three-dimensional (3D) computed tomography (CT) observation and mitochondrial DNA (mtDNA) analysis...”
Published in Journal of Veterinary Medical Science (2016)
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13“...The prospect for consistent computer aided refinement of stereoselective enzymes is explored...”
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14by Figueiredo, Pedro, Marques, Elisa A., Gudnason, Vilmundur, Lang, Thomas, Sigurdsson, Sigurdur, Jonsson, Palmi V., Aspelund, Thor, Siggeirsdottir, Kristin, Launer, Lenore, Eiriksdottir, Gudny, Harris, Tamara B.“... in the baseline visit (between 2002 and 2006) and had valid thigh and abdominal computed tomography (CT) scans...”
Published in Experimental Gerontology (2021)
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15“... computed-tomography imaging. Three-dimensional reconstructions of oyster shells were used to assess...”
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16by Ruscio, Jory Z., Kumar, Deept, Shukla, Maulik, Prisant, Michael G., Murali, T. M., Onufriev, Alexey V.“.... The computations are performed both in sperm whale myoglobin wild-type and in sperm whale V68F myoglobin mutant...”
Published in Proceedings of the National Academy of Sciences (2008)
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17by Wroe, Stephen, Clausen, Philip, McHenry, Colin, Moreno, Karen, Cunningham, EleanorGet access
Published in Proceedings of the Royal Society B: Biological Sciences (2007)
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18by Alstrup, Aage Kristian Olsen, Munk, Ole Lajord, Jensen, Trine Hammer, Jensen, Lasse Fast, Hedayat, Abdi, Hansen, BrianGet access
Published in Acta Veterinaria Scandinavica (2017)
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19by Janek, Tomasz, Krasowska, Anna, Czyżnikowska, Żaneta, Łukaszewicz, MarcinGet access
Published in Frontiers in Microbiology (2018)
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20“... reaction of carbonic acid in equilibrium. Also a multicompartment computer model is described consisting...”
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