6,210 research outputs found
Letter from Ruth F. Hahn, December 6, 1967
No full textLetter from Ruth F. Hahn to Fayez Sayegh, December 6, 1967, regarding his appearance on the David Susskind show and the Arab-Israeli conflict; includes copies of 2 messages from Hahn printed in the New York Times
Dissertatio academica trigam thesium physicarum: exhibens; qvam, ex suffragio & indultu amplissimi senatus philosophici in inclyto & Regio Lyceo Abonsi sub praesidio, dn. mag. Petri Hahn, scientiae naturalis professoris ordin. & reg. hoc tempore rectoris magnifici, nec non ejusdem universitatis bibliothecarii solertissimi, patroni & promotoris, quovis officio & animi veneratione aeternm suspiciendi, publico bonorum, eruditorumqve examini modest committit Martinus Gråå, J. f. Nylandus. Ad diem 27. Maij, anni 1691. In auditorio majori, horis solitis antem
No full textInvocatio: Adjuvante supremo numine.Dedicatio: Petrus Bång, Petrus Carstenius.Grat.: Petrus Hahn, Petrus Laurbecchius, Simon Tålpo, Andreas Wanochius, David Lund.Painovuosi nimekkeestä.Arkit: 4 arkintunnuksetonta lehteä, A-D4
Asymptotic iteration method for solving Hahn difference equations
No full textHahn’s difference operator Dq;wf(x)=(f(qx + w) – f(x))/((q – 1)x + w), q ∈ (0, 1), w > 0,
x = w/(1 – q) is used to unify the recently established difference and q-asymptotic
iteration methods (DAIM, qAIM). The technique is applied to solve the second-order
linear Hahn difference equations. The necessary and sufficient conditions for
polynomial solutions are derived and examined for the (q;w)-hypergeometric
equation.Natural Sciences and Engineering Research Council of CanadaCanadian Network for Research and Innovation in Machining Technolog
Characterization of the Dᵂ-Laguerre-Hahn functionals
No full text29 pages, no figures.-- MSC2000 codes: 33C45, 39A10.MR#: MR1914598 (2003e:33021)Zbl#: Zbl 1021.33007We give some characterization theorems for the DᵂLaguerre-Hahn linear functionals and we extend the concept of the class of the usual Laguerre-Hahn functionals to the Dᵂ-Laguerre-Hahn functionals, recovering the classic results when ᵂ tends to zero. Moreover, we show that some transformations carried out on the Dᵂ-Laguerre-Hahn linear functionals lead to new Dᵂ-Laguerre-Hahn linear functionals. Finally, we analyze the class of the resulting functionals and we give some applications relative to the first associated Charlier, Meixner, Krawtchouk and Hahn orthogonal polynomials.The work of the second author (FM) was supported by Ministerio de Ciencia y Tecnología (Dirección General de Investigación) of Spain under grant BFM 2000-0206-C04-01 and the INTAS project INTAS 2000-272.Publicad
Information seeking with Wikipedia on the iPod touch
No full textThe purpose of this paper is to present the results of a usability study which inquired into undergraduate student information seeking with Wikipedia on the iPod touch. Students characterize the overall nature of information searched for with the Wikipedia app to be for recreational and for short factual information. Recreational searching as a way in which undergraduate students utilize mobile technology is an earlier finding of Wikipedia iPod usage, and is verified as a trend of undergraduate student search using the iPod. All undergraduate student participants of the Wikipedia app on a mobile interface report this tool as helping to become more efficient in their research. Students viewed Wikipedia articles about people and concepts more so than other article types.is peer reviewedSubmitted by James Hahn ([email protected]) on 2011-02-17T02:14:29Z
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Previous issue date: 2010The author wishes to acknowledge the Research and Publication Committee of the University of Illinois at Urbana-Champaign Library, which provided support for the completion of this research.published or submitted for publicatio
Current State of Open Source Force Fields in Protein-Ligand Binding Affinity Predictions.
No full textIn drug discovery, the in silico prediction of binding affinity is one of the major means to prioritize compounds for synthesis. Alchemical relative binding free energy (RBFE) calculations based on molecular dynamics (MD) simulations are nowadays a popular approach for the accurate affinity ranking of compounds. MD simulations rely on empirical force field parameters, which strongly influence the accuracy of the predicted affinities. Here, we evaluate the ability of six different small-molecule force fields to predict experimental protein-ligand binding affinities in RBFE calculations on a set of 598 ligands and 22 protein targets. The public force fields OpenFF Parsley and Sage, GAFF, and CGenFF show comparable accuracy, while OPLS3e is significantly more accurate. However, a consensus approach using Sage, GAFF, and CGenFF leads to accuracy comparable to OPLS3e. While Parsley and Sage are performing comparably based on aggregated statistics across the whole dataset, there are differences in terms of outliers. Analysis of the force field reveals that improved parameters lead to significant improvement in the accuracy of affinity predictions on subsets of the dataset involving those parameters. Lower accuracy can not only be attributed to the force field parameters but is also dependent on input preparation and sampling convergence of the calculations. Especially large perturbations and nonconverged simulations lead to less accurate predictions. The input structures, Gromacs force field files, as well as the analysis Python notebooks are available on GitHub
De magnetismo polorum cogitatum, qvod dissertatione philosophica, veniá ampliss: ordinis philosophici, praeside ... dn. m. Petro Hahn, scientiae nat. professore regio ord. Regiae que ad Auram Acad. bibliothecario celeberrimo, in illustri Aboënsi lycéo, pro gradu magisterii candidi censoris placiae censurae, summa modestia defert. Christ: Procopoeus C. f. Satag. Finl. Ad diem 28 Maji anno M. DC. XCVIII. horis locoque consvetis.
No full textInvokaatio: Adsit Deus sua gratia!Dedikaatio: Johannes Gezelius, David Lund, Johannes Rungius.Gratulaatio: Jo. Rungius, Daniel Sirenius, Joh. Polviander.Esipuhe.Painovuosi nimekkeestä.Arkit: b6, A8 B4 C2 - S. [2] tyhjä
O realismo modal de David K. Lewis e suas implicações epistêmicas
No full textDissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Filosofia e Ciências Humanas. Programa de Pós-Graduação em Filosofia.Uma das dificuldades encontradas na lógica modal diz respeito à semântica. Geralmente, não é possível calcular o valor de 9" a partir do valor de ", ou seja, se " é falsa parece claro que 9" também o é, uma vez que 9" significa que " é necessariamente verdadeira. Se pelo contrario, " é verdadeira, como saber se é contingente ou necessária? O mesmo se dá com "". Se " é verdadeira, "" é verdadeira. Mas qual será o valor de "" se " é falsa? Mesmo falsa, " poderia ser possível. Posta esta dificuldade, foi criada por Saul Kripke a semântica dos mundos possíveis. Enquanto na lógica proposicional clássica uma interpretação consiste na atribuição de valores {V,F} às letras sentenciais e, por extensão, uma atribuição de valores a todas as fórmulas, em lógica modal uma interpretação consiste em um conjunto de mundos possíveis com uma atribuição de valores às fórmulas em cada um deles. Chamamos esta interpretação de modelo de mundos possíveis ou modelo de Kripke. A posição realista de David K. Lewis quanto à semântica de Mundos Possíveis para lógicas modais acarreta muitas objeções entre as quais uma epistemológica. Podemos afirmar nosso conhecimento sobre questões modais, uma vez que tal teoria afirma que não há relações espaço-temporais e causais entre os mundos? É possível conhecer algo que não está acessível à inspeção direta? Lewis faz sua defesa utilizando-se de argumentos a favor do realismo matemático. Alguns dos opositores de Lewis fazem objeção a essa estratégia e contra-argumentam de muitas formas. O objetivo geral do trabalho, além de expor da maneira mais clara possível a discussão em torno do tema, é mostrar que, mesmo que uma defesa cabal do realismo modal seja muito complicada, pelo menos no caso das objeções epistemológicas formuladas por Tom Richards, Willian Lycan e Brian Skyrms, Lewis se sai bem na defesa de sua teoria. Por outro lado, o objetivo específico e principal desta dissertação é fazer uma defesa à objeção epistemológica de Charles Chihara, uma vez que a defesa apresentada por Lewis a seus críticos não o satisfez e a resposta à objeção de Chihara deixou de ser dada por Lewis
MobleyLab/benchmarkff: Version 1.0.0: Used in paper
No full textThis is the version of the code used in our preprint that we've submitted for publication, citation below. Additional changes may be forthcoming at a later date as more folks use this elsewhere, but this is the version we're using at this point.
Lim, Victoria T.; Hahn, David F.; Tresadern, Gary; Bayly, Christopher I.; Mobley, David (2020): Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12551867.v
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Pre-exascale computing of protein–ligand binding free energies with open source software for drug design
No full textNowadays, drug design projects benefit from highly accurate protein–ligand binding free energy predictions based on molecular dynamics simulations. While such calculations have been computationally expensive in the past, we now demonstrate that workflows built on open source software packages can efficiently leverage pre-exascale computing resources to screen hundreds of compounds in a matter of days. We report our results of free energy calculations on a large set of pharmaceutically relevant targets assembled to reflect industrial drug discovery projects
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