Search Results - "STEWART, J. P"

tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics by Rodríguez, Aurelio, Rodríguez-Fernández, Roberto, A Vázquez, Saulo, L Barnes, George, J P Stewart, James, Martínez-Núñez, Emilio

“…A new software, called tsscds2018, has been developed to discover reaction mechanisms and solve the kinetics in a fully automated fashion. The program employs…”
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Mucosal vaccines and technology by Miquel‐Clopés, A., Bentley, E. G., Stewart, J. P., Carding, S. R.

“…Summary There is an urgent and unmet need to develop effective vaccines to reduce the global burden of infectious disease in both animals and humans, and in…”
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Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters by Stewart, James J. P.

“…Modern semiempirical methods are of sufficient accuracy when used in the modeling of molecules of the same type as used as reference data in the…”
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CPT-Based Probabilistic and Deterministic Assessment of In Situ Seismic Soil Liquefaction Potential by Moss, R. E, Seed, R. B, Kayen, R. E, Stewart, J. P, Der Kiureghian, A, Cetin, K. O

“…This paper presents a complete methodology for both probabilistic and deterministic assessment of seismic soil liquefaction triggering potential based on the…”
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Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elements by Stewart, James J P

“…Several modifications that have been made to the NDDO core-core interaction term and to the method of parameter optimization are described. These changes have…”
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Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials by Dutra, José Diogo L, Filho, Manoel A. M, Rocha, Gerd B, Freire, Ricardo O, Simas, Alfredo M, Stewart, James J. P

“…The recently published Parametric Method number 7, PM7, is the first semiempirical method to be successfully tested by modeling crystal structures and heats of…”
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LINC complexes mediate the positioning of cone photoreceptor nuclei in mouse retina by Razafsky, David, Blecher, Nathaniel, Markov, Alexander, Stewart-Hutchinson, P J, Hodzic, Didier

“…It has long been observed that many neuronal types position their nuclei within restricted cytoplasmic boundaries. A striking example is the apical…”
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Application of the PM6 method to modeling proteins by Stewart, James J. P.

“…The applicability of the newly developed PM6 method for modeling proteins is investigated. In order to allow the geometries of such large systems to be…”
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A Perinuclear Actin Cap Regulates Nuclear Shape by Khatau, Shyam B., Hale, Christopher M., Stewart-Hutchinson, P. J., Patel, Meet S., Stewart, Colin L., Searson, Peter C., Hodzic, Didier, Wirtz, Denis

“…Defects in nuclear morphology often correlate with the onset of disease, including cancer, progeria, cardiomyopathy, and muscular dystrophy. However, the…”
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Application of the PM6 method to modeling the solid state by Stewart, James J. P.

“…The applicability of the recently developed PM6 method for modeling various properties of a wide range of organic and inorganic crystalline solids has been…”
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How well do semiempirical QM methods describe the structure of proteins? by Řezáč, J, Stewart, J J P

“…Semiempirical quantum-mechanical (QM) computational methods are an increasingly popular tool for the study of biomolecular systems. They were, however,…”
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Failure of prefilled thiopental to induce anaesthesia by Stewart, P. J., Laird, R.

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Detection of Structural Variants in Circulating Cell-Free DNA from Sarcoma Patients Using Next Generation Sequencing by Mc Connell, Lauren, Gazdova, Jana, Beck, Katja, Srivastava, Shambhavi, Harewood, Louise, Stewart, J P, Hübschmann, Daniel, Stenzinger, Albrecht, Glimm, Hanno, Heilig, Christoph E, Fröhling, Stefan, Gonzalez, David

“…Circulating tumour DNA (ctDNA) analysis using next generation sequencing (NGS) is being implemented in clinical practice for treatment stratification and…”
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A semiempirical method optimized for modeling proteins by Stewart, James J. P., Stewart, Anna C.

“…Context In recent years, semiempirical methods such as PM6, PM6-D3H4, and PM7 have been increasingly used for modeling proteins, in particular enzymes. These…”
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Serological survey of virus infection among wild house mice (Mus domesticus) in the UK by Becker, S D, Bennett, M, Stewart, J P, Hurst, J L

“…The serological prevalence of 13 murine viruses was surveyed among 103 wild-caught and 51 captive-bred house mice (Mus domesticus), originating from several…”
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Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements by Stewart, James J P

“…The NDDO semiempirical methods MNDO, AM1, and PM3 have been extended to all the remaining non-radioactive elements of the main group, excluding the noble…”
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Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase by Li, Wenbo, Girt, Georgina C, Radadiya, Ashish, Stewart, James J P, Richards, Nigel G J, Naismith, James H

“…The biosynthetic enzyme, ForT, catalyses the formation of a C-C bond between 4-amino-1 -pyrazoledicarboxylic acid and MgPRPP to produce a C-nucleoside…”
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PEER-NGL project: Open source global database and model development for the next-generation of liquefaction assessment procedures by Stewart, J.P., Kramer, S.L., Kwak, D.Y., Greenfield, M.W., Kayen, R.E., Tokimatsu, K., Bray, J.D., Beyzaei, C.Z., Cubrinovski, M., Sekiguchi, T., Nakai, S., Bozorgnia, Y.

“…The Next-Generation Liquefaction (NGL) project was launched to (1) substantially improve the quality, transparency, and accessibility of case history data…”
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Assessment of the accuracy of transrectal ultrasonography in anorectal neoplasia by Mackay, S. G., Pager, C. K., Joseph, D., Stewart, P. J., Solomon, M. J.

“…Background: Accurate preoperative staging of anorectal neoplasia is required to identify patients for whom local excision or adjuvant therapy may be…”
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Apolipoprotein B metabolism and the distribution of VLDL and LDL subfractions by Packard, C J, Demant, T, Stewart, J P, Bedford, D, Caslake, M J, Schwertfeger, G, Bedynek, A, Shepherd, J, Seidel, D

“…Apolipoprotein B (apoB) metabolism was investigated in 20 men with plasma triglyceride 0.66-2.40 mmol/l and plasma cholesterol 3.95-6. 95 mmol/l. Kinetics of…”
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