Search Results - "Smith, Paul E."

Rumen Microbiome Composition Is Altered in Sheep Divergent in Feed Efficiency by McLoughlin, Steven, Spillane, Charles, Claffey, Noel, Smith, Paul E, O'Rourke, Tommy, Diskin, Michael G, Waters, Sinéad M

“…Rumen microbiome composition and functionality is linked to animal feed efficiency, particularly for bovine ruminants. To investigate this in sheep, we…”
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Kirkwood–Buff-Derived Force Field for Peptides and Proteins: Applications of KBFF20 by Ploetz, Elizabeth A, Karunaweera, Sadish, Smith, Paul E

“…Here, we perform structural, thermodynamic, and kinetics tests of the Kirkwood–Buff-derived force field, KBFF20, for peptides and proteins developed in the…”
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How Osmolytes Counteract Pressure Denaturation on a Molecular Scale by Shimizu, Seishi, Smith, Paul E.

“…Life in the deep sea exposes enzymes to high hydrostatic pressure, which decreases their stability. For survival, deep sea organisms tend to accumulate various…”
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Differences in the Composition of the Rumen Microbiota of Finishing Beef Cattle Divergently Ranked for Residual Methane Emissions by Smith, Paul E, Kelly, Alan K, Kenny, David A, Waters, Sinéad M

“…With the advent of high throughput technology, it is now feasible to study the complex relationship of the rumen microbiota with methanogenesis in large…”
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Preferential Solvation in Binary and Ternary Mixtures by Pallewela, Gayani N, Smith, Paul E

“…Preferential solvation has become a useful tool to help characterize and understand the properties of liquid mixtures. Here, we provide a new quantitative…”
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Health-associated changes of the fecal microbiota in dairy heifer calves during the pre-weaning period by Scully, Sabine, Earley, Bernadette, Smith, Paul E, McAloon, Catherine, Waters, Sinéad M

“…Neonatal calf diarrhea is a multifactorial condition that occurs in early life when calves are particularly susceptible to enteric infection and dysbiosis of…”
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Breed and ruminal fraction effects on bacterial and archaeal community composition in sheep by McLoughlin, Steven, Spillane, Charles, Campion, Francis P., Claffey, Noel, Sosa, Chrystian C., McNicholas, Yvonne, Smith, Paul E., Diskin, Michael G., Waters, Sinéad M.

“…While the breed of cattle can impact on the composition and structure of microbial communities in the rumen, breed-specific effects on rumen microbial…”
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On the Kirkwood-Buff inversion procedure by Smith, Paul E

“…A general approach is presented to express the Kirkwood-Buff integrals, the central component of the Kirkwood-Buff theory of solutions, in terms of…”
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Particle and Energy Pair and Triplet Correlations in Liquids and Liquid Mixtures from Experiment and Simulation by Ploetz, Elizabeth A, Smith, Paul E

“…Recent advances in fluctuation solution theory (FST) have provided access to information concerning triplet fluctuations and integrals, in addition to the…”
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Synthetic Sequencing Standards: A Guide to Database Choice for Rumen Microbiota Amplicon Sequencing Analysis by Smith, Paul E, Waters, Sinead M, Gómez Expósito, Ruth, Smidt, Hauke, Carberry, Ciara A, McCabe, Matthew S

“…Our understanding of complex microbial communities, such as those residing in the rumen, has drastically advanced through the use of high throughput sequencing…”
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Infinitely Dilute Partial Molar Properties of Proteins from Computer Simulation by Ploetz, Elizabeth A, Smith, Paul E

“…A detailed understanding of temperature and pressure effects on an infinitely dilute protein’s conformational equilibrium requires knowledge of the…”
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Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures by Ploetz, Elizabeth A, Smith, Paul E

“…Kirkwood-Buff or Fluctuation Solution Theory can be used to provide experimental pair fluctuations, and/or integrals over the pair distribution functions, from…”
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A Kirkwood-Buff force field for the aromatic amino acids by Ploetz, Elizabeth A, Smith, Paul E

“…In a continuation of our efforts to develop a united atom non-polarizable protein force field based upon the solution theory of Kirkwood and Buff i.e., the…”
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Enteric methane research and mitigation strategies for pastoral-based beef cattle production systems by Smith, Paul E, Kelly, Alan K, Kenny, David A, Waters, Sinéad M

“…Ruminant livestock play a key role in global society through the conversion of lignocellulolytic plant matter into high-quality sources of protein for human…”
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Kirkwood-Buff theory of molecular and protein association, aggregation, and cellular crowding by Gee, Moon Bae, Smith, Paul E

“…An analysis of the effect of a cosolvent on the association of a solute in solution using the Kirkwood-Buff theory of solutions is presented. The approach…”
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Fluctuation theory of molecular association and conformational equilibria by Jiao, Yuanfang, Smith, Paul E

“…General expressions relating the effects of pressure, temperature, and composition on solute association and conformational equilibria using the fluctuation…”
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A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions by Weerasinghe, Samantha, Smith, Paul E

“…A force field for the simulation of methanol and aqueous methanol mixtures is presented. The force field was specifically designed to reproduce the…”
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Replacing Barley and Soybean Meal With By-products, in a Pasture Based Diet, Alters Daily Methane Output and the Rumen Microbial Community in vitro Using the Rumen Simulation Technique (RUSITEC) by Smith, Paul E., Waters, Sinéad M., Kenny, David A., Boland, Tommy M., Heffernan, John, Kelly, Alan K.

“…Plant based by-products (BP) produced from food and bioethanol industries are human inedible, but can be recycled into the global food chain by ruminant…”
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A Kirkwood‐Buff derived force field for amides by Kang, Myungshim, Smith, Paul E.

“…A force field for the computer simulation of aqueous solutions of amides is presented. The force field is designed to reproduce the experimentally observed…”
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Local fluctuations in solution mixtures by Ploetz, Elizabeth A, Smith, Paul E

“…An extension of the traditional Kirkwood-Buff (KB) theory of solutions is outlined which provides additional fluctuating quantities that can be used to…”
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