Identifying and correcting non-Markov states in peptide conformational dynamics

Conformational transitions in proteins define their biological activity and can be investigated in detail using the Markov state model. The fundamental assumption on the transitions between the states, their Markov property, is critical in this framework. We test this assumption by analyzing the transitions obtained directly from the dynamics of a molecular dynamics simulated peptide valine-proline-alanine-leucine and states defined phenomenologically using clustering in dihedral space. We find that the transitions are Markovian at the time scale of ˜ 50 ps and longer. However, at the time scale of 30–40 ps the dynamics loses its Markov property. Our methodology reveals the mechanism that leads to non-Markov behavior. It also provides a way of regrouping the conformations into new states that now possess the required Markov property of their dynamics.

El reencuentro de la música española con la Latinomérica poscolonial:el caso Joaquín Sabina

La música se convirtió en los años setenta en el medio para encauzar la oposición al régimen franquista y la incertidumbre ante la transición. Del ejemplo y la fascinación con la revolución cubana, a la oposición a las dictaduras chilena (1973), uruguaya (1974) y argentina (1976), todos ellos fueron hechos que en España se vivieron como propios. En esos años los cantautores españoles reivindicaban la libertad de expresión y el final de todas las dictaduras. Sin embargo, la música española comienza a transformar su mirada hacia Latinoamérica cuando la democracia es un hecho. Se representa ahora un nuevo espacio latinoamericano que me propongo caracterizar en este artículo, y a través del caso concreto de Joaquín Sabina, como "post-colonial".The music in the seventies became the vehicle for channeling opposition to the regime and the uncertainty of the transition. From the example and the fascination with the Cuban revolution, opposition to the dictatorships in Chile (1973), Uruguay (1974) and Argentina (1976), they were all events that were lived in Spain as their own. In those years the Spanish songwriters claiming freedom of expression and end of all dictatorships. However, the Spanish music begins to turn their attention to Latin America where democracy is a fact. It is now a new Latin American space I propose to characterize in this article, and through the specific case of Joaquin Sabina, as "post-colonial".J A brief survey of style to your work reflects his role as poet cult following in the wake of Herrera or Gongora, as did Antequerana School, aims to upgrade from his vivid descriptions, his Christian ideas and a lyrical formal mannerisms full of clichés.

Sexuality and Christianity:understanding the attitudes and negotiations of young adults in the UK

Christianity has historically incorporated numerous strands of thinking on sexuality; in some cases, problematizing sexuality through the endorsement of celibacy and asceticism while at other historical and contextual moments, marriage and procreation become ideals (Price 2006). Contemporary Christians negotiate many sexual scripts (including ‘secular’ ones), but ‘appropriate’ Christian sexuality is still usually defined in terms of monogamy, the containment of sex within marriage, and heterosexuality. This chapter will explore the attitudes, beliefs and practices toward sexuality of young Christian women and men aged between 18 and 25 and living in the UK, based on a qualitative and quantitative research project entitled Religion, Youth and Sexuality: A Multi-faith Exploration, which utilized questionnaires, in-depth interviews and video diaries. The chapter will consider the variations in attitude between young people from different Christian denominations in relation to three themes: sex outside of marriage, celibacy and monogamy.