Search results for "computational"
showing 10 items of 5884 documents
From Overstoichiometric to Substoichiometric Enantioselective Protonation with 2-Sulfinyl Alcohols: A View in Perspective
2005
A general study of the enantioselective protonation of prochiral enolates with 2-sulfinyl alcohols is reported. The modification of reaction conditions to reduce drastically the amount of chiral proton source needed to obtain a good enantiomeric excess is reported. The effects of the different factors controlling the stereoselectivity are clearly established. Different protocols for enolate generation are compared.
The distributions of protein coding genes within chromatin domains in relation to human disease.
2019
Abstract Background Our understanding of the nuclear chromatin structure has increased hugely during the last years mainly as a consequence of the advances in chromatin conformation capture methods like Hi-C. The unprecedented resolution of genome-wide interaction maps shows functional consequences that extend the initial thought of an efficient DNA packaging mechanism: gene regulation, DNA repair, chromosomal translocations and evolutionary rearrangements seem to be only the peak of the iceberg. One key concept emerging from this research is the topologically associating domains (TADs) whose functional role in gene regulation and their association with disease is not fully untangled. Resul…
SNPs detection by eBWT positional clustering
2019
Sequencing technologies keep on turning cheaper and faster, thus putting a growing pressure for data structures designed to efficiently store raw data, and possibly perform analysis therein. In this view, there is a growing interest in alignment-free and reference-free variants calling methods that only make use of (suitably indexed) raw reads data. We develop the positional clustering theory that (i) describes how the extended Burrows–Wheeler Transform (eBWT) of a collection of reads tends to cluster together bases that cover the same genome position (ii) predicts the size of such clusters, and (iii) exhibits an elegant and precise LCP array based procedure to locate such clusters in the e…
Special Issue on Computational Intelligence and Nature-Inspired Algorithms for Real-World Data Analytics and Pattern Recognition
2018
This special issue of Algorithms is devoted to the study of Computational Intelligence and Nature-Inspired Algorithms for Real-World Data Analytics and Pattern Recognition. The special issue considered both theoretical contributions able to advance the state-of-the-art in this field and practical applications that describe novel approaches for solving real-world problems.
Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives
2009
The Silberstein model of the molecular polarizability of diatomic molecules, generalized by Applequist et al. for polyatomic molecules, is analyzed. The atoms are regarded as isotropically polarizable points located at their nuclei, interacting via the fields of their induced dipoles. The use of additive values for atom polarizabilities gives poor results, in some cases leading to artificial predictions of absorption bands. The molecular polarizability of methane and its derivative are computed. The agreement with experimental mean molecular polarizabilities is within 1–5%. A hypothesis is indispensable for a suitable representation of polarizability derivative.
Virtual screening : development of a novel structure-based method
2013
Kinematics of perceived dyadic coordination in dance
2019
We investigated the relationships between perceptions of similarity and interaction in spontaneously dancing dyads, and movement features extracted using novel computational methods. We hypothesized that dancers’ movements would be perceived as more similar when they exhibited spatially and temporally comparable movement patterns, and as more interactive when they spatially oriented more towards each other. Pairs of dancers were asked to move freely to two musical excerpts while their movements were recorded using optical motion capture. Subsequently, in two separate perceptual experiments we presented stick figure animations of the dyads to observers, who rated degree of interaction and si…
The Syllogistic with Unity
2011
We extend the language of the classical syllogisms with the sentence-forms “At most 1 p is a q” and “More than 1 p is a q”. We show that the resulting logic does not admit a finite set of syllogism-like rules whose associated derivation relation is sound and complete, even when reductio ad absurdum is allowed.
Logic and the Myth of the Perfect Language
2010
We argue that the dream of a ‘perfect language’ – namely, a universal, unambiguous and semantically transparent medium of expression –, whose intriguing story has been told by Umberto Eco (1993), is deeply intertwined with the myth of instant rationality: the idea that a perfect language is one in which all logical relations becomeimmediatly visible, so that the language itself “does the thinkingfor us” (Frege 1884). In the first part of this paper we trace this versionof the dream in the works of Leibniz, Frege, Russell and Wittgenstein. In the second part we re-examine it in the light of more recent negative results in logic and theoretical computer science.