Constructive aspects of Riemann's permutation theorem for series

The notions of permutable and weak-permutable convergence of a series $\sum_{n=1}^{\infty}a_{n}$ of real numbers are introduced. Classically, these two notions are equivalent, and, by Riemann's two main theorems on the convergence of series, a convergent series is permutably convergent if and only if it is absolutely convergent. Working within Bishop-style constructive mathematics, we prove that Ishihara's principle \BDN implies that every permutably convergent series is absolutely convergent. Since there are models of constructive mathematics in which the Riemann permutation theorem for series holds but \BDN does not, the best we can hope for as a partial converse to our first theorem is that the absolute convergence of series with a permutability property classically equivalent to that of Riemann implies \BDN. We show that this is the case when the property is weak-permutable convergence

Grid enabled high throughput virtual screening against four different targets implicated in malaria

PCSVInternational audienceAfter having deployed a first data challenge on malaria and a second one on avian flu, respectively in summer 2005 and spring 2006, we are demonstrating here again how efficiently the computational grids can be used to produce massive docking data at a high-throughput. During more than 2 months and a half, we have achieved at least 140 million dockings, representing an average throughput of almost 80,000 dockings per hour. This was made possible by the availability of thousands of CPUs through different infrastructures worldwide. Through the acquired experience, the WISDOM production environment is evolving to enable an easy and fault-tolerant deployment of biological tools; in this case it is the FlexX commercial docking software which is used to dock the whole ZINC database against 4 different targets

Polarizing Double Negation Translations

Double-negation translations are used to encode and decode classical proofs in intuitionistic logic. We show that, in the cut-free fragment, we can simplify the translations and introduce fewer negations. To achieve this, we consider the polarization of the formul{\ae}{} and adapt those translation to the different connectives and quantifiers. We show that the embedding results still hold, using a customized version of the focused classical sequent calculus. We also prove the latter equivalent to more usual versions of the sequent calculus. This polarization process allows lighter embeddings, and sheds some light on the relationship between intuitionistic and classical connectives

Large Scale In Silico Screening on Grid Infrastructures

Large-scale grid infrastructures for in silico drug discovery open opportunities of particular interest to neglected and emerging diseases. In 2005 and 2006, we have been able to deploy large scale in silico docking within the framework of the WISDOM initiative against Malaria and Avian Flu requiring about 105 years of CPU on the EGEE, Auvergrid and TWGrid infrastructures. These achievements demonstrated the relevance of large-scale grid infrastructures for the virtual screening by molecular docking. This also allowed evaluating the performances of the grid infrastructures and to identify specific issues raised by large-scale deployment.Comment: 14 pages, 2 figures, 2 tables, The Third International Life Science Grid Workshop, LSGrid 2006, Yokohama, Japan, 13-14 october 2006, to appear in the proceeding

Les grilles pour le développement médical

PCSV, présenté par V. Breton, à paraître dans les Comptes-Rendu de la ConférenceLe développement récent des sciences et technologies de l'information et de la communication permet aujourd'hui la création de véritables infrastructures pour le calcul et le stockage de données hétérogènes à l'échelle régionale, nationale et internationale. Ces infrastructures, appelées grilles informatiques, permettront bientôt d'utiliser les ressources informatiques mutualisées avec autant de facilité que nous utilisons aujourd'hui l'électricité. L'utilisation des grilles afin d'accélérer la découverte de médicaments est une voie très prometteuse pour l'avenir. Par cette approche in silico, le nombre de molécules ainsi que la vitesse de test peuvent être grandement augmentés induisant un coût moindre de développement de médicaments. Du 11 Juillet au 31 Août 2005, l'expérience WISDOM (Wide In Silico Docking On Malaria) a permis de tester rien moins qu'un million de ligands (médicaments potentiels) pour le traitement du paludisme: 1700 ordinateurs à travers le monde ont ainsi été associés à cette démarche permettant de réaliser en un mois ce qui aurait nécessité 80 ans sur un ordinateur classique. L'analyse des résultats est en cours. Par cette approche, on peut souhaiter également que les maladies orphelines puissent bénéficier d'un intérêt nouveau de la part des industries pharmaceutiques, à travers notamment la baisse du coût de développement d'un médicament, principal obstacle actuellement à leur mobilisation

Demonstration of In Silico docking at a large scale on grid infrastructure

présenté par N. Jac