44 research outputs found
Assignment of protonation states and geometries to macromolecular structures using Unary Quadratic Optimization
No full textMedea or the disorden in Neil Labute's "Medea Redux"
No full textEn el marco de las investigaciones sobre la recepción de Medea en la literatura y las
artes, el presente artículo presenta un estudio de la obra teatral Medea Redux,
reescritura de la Medea de Eurípides del controvertido dramaturgo norteamericano
Neil Labute (1999). Mediante un análisis comparativo entre los textos de ambos
autores se estudian los procedimientos mediante los cuales Labute se "apropia" del
mythos antiguo, para concluir sobre qué aspectos interesan al dramaturgo
contemporáneo y en qué ámbitos innova, tanto en lo que se refiere a la propia
narración del relato mítico y a la caracterización de los personajes, como a la
eliminación o conservación de ciertos aspectos formales presentes en la tragedia
antigua. Igualmente se establece una conexión entre el teatro de Labute -en Medea
Redux pero también en Helter Skelter, pieza de 2008 inspirada igualmente en Medea y el trasfondo moral de la tragedia euripidea.Within the research on reception of Medea in Literature and Art, this paper studies the
play Medea Redux, a recreation of Euripides' Medea by the controversial American
playwright Neil Labute (1999). Through a comparative analysis between Labute's and
Euripides' texts, the procedures followed by Labute to 'appropriate' the ancient
mythos are studied, in order to conclude on the aspects that interest the modern
author and on the areas in which he innovates. This is done both in terms of the
mythical story itself and the characters, and in terms of the elimination or
conservation of certain formal aspects of the ancient tragedy. A connection is also
established between Labute's theatre (in Medea Redux but also in Helter Skelter, a
2008 play also inspired by the Greek Medea) and the moral background of the
Euripidean Tragedy
LowModeMDImplicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops
No full textWe present a method for conformational search of complex molecular systems such as macrocycles and protein loops. The method is based on perturbing an existing conformation along a molecular dynamics trajectory using initial atomic velocities with kinetic energy concentrated on the low-frequency vibrational modes, followed by energy minimization. A novel Chebyshev polynomial filter is used to heavily dampen the high-frequency components of a randomly generated Maxwell−Boltzmann velocity vector. The method is very efficient, even for large systems; it is straightforward to implement and requires only standard force-field energy and gradient evaluations. The results of several computational experiments suggest that the method is capable of efficiently sampling low-strain energy conformations of complex systems with nontrivial nonbonded interaction networks
Mild pro-2-groups and 2-extensions of Q with restricted ramification
No full textAbstractUsing the mixed Lie algebras of Lazard, we extend the results of the first author on mild groups to the case p=2. In particular, we show that for any finite set S0 of odd rational primes we can find a finite set S of odd rational primes containing S0 such that the Galois group of the maximal 2-extension of Q unramified outside S is mild. We thus produce a projective system of such Galois groups which converge to the maximal pro-2-quotient of the absolute Galois group of Q unramified at 2 and ∞. Our results also allow results of Alexander Schmidt on pro-p-fundamental groups of marked arithmetic curves to be extended to the case p=2 over a global field which is either a function field of characteristic ≠2 or a totally imaginary number field
