This paper deals with a novel computational approach that aims to measure the similarities of protein binding sites through comparison of atomic grid maps. The assessment of structural similarity between proteins is a longstanding goal in biology and in structure-based drug design. Instead of focusing on standard structural alignment techniques, mostly based on superposition of common structura...

We measure the dispersion relation, gap, and magnetic moment of a magnon in the ferromagnetic F = 1 spinor Bose-Einstein condensate of (87)Rb. From the dispersion relation we measure an average effective mass 1.033(2)(stat)(10)(sys) times the atomic mass, as determined by interfering standing and running coherent magnon waves within the dense and trapped condensed gas. The measured mass is high...

The present paper deals with the study of the notion of an atom of a function m defined on an effect algebra L with values in [0,∞]; a few examples of atoms for null-additive as well as for non-null-additive functions are also given. We have proved a Saks type decomposition theorem for an element a with m(a) > 0 (for a suitable m), which does not contain any atom of m, in a σ-complete effect al...

We propose a method to allocate decision responsibility and arrange information flow dynamically within a team of decision-makers for command and control. A model of decision making which relates the decision load to decision accuracy is proposed and employed as an atomic building block to create predictive models of team decision making. An optimization problem is then proposed for a given set...

Starting from either the exchange or the exchange-correlation density together with Bader’s definition of an atom in a molecule, an atomic hole density function can be defined. Contour maps of atomic hole density functions are able to show how the electron density of each atom in a molecule is partially delocalized into the rest of atoms in the molecule. The degree of delocalization of the atom...

In our report entitled “Treatment of Cooley’s Anemia” (Blood 76:435, 1990), we described a deferoxamine provocation test in which we measure serum iron and iron-binding capacity following an infusion of the chelator. In the report, we failed to state clearly that we do not use standard colorimetric tests to make these measurements. The mild reducing agents used in most colorimetric assays do no...

We prove that each invariant measure in a non-uniformly hyperbolic system can be approximated by atomic measures on hyperbolic periodic orbits. This contributes to our main result that the mean angle (Definition 1.10), independence number (Definition 1.6) and Oseledec splitting for an ergodic hyperbolic measure with simple spectrum can be approximated by those for atomic measures on hyperbolic ...

We obtain an almost everywhere quantifier elimination for (the noncritical fragment of) the logic with probability quantifiers, introduced by the first author in [9]. This logic has quantifiers like ∃≥3/4y, which says that “for at least 3/4 of all y”. These results improve upon the 0-1 law for a fragment of this logic obtained by Knyazev [11]. Our improvements are: 1. We deal with the quantifie...

In the theory of orthogonal polynomials, sum rules are remarkable relationships between a functional defined on a subset of all probability measures involving the reverse KullbackLeibler divergence with respect to a particular distribution and recursion coefficients related to the orthogonal polynomial construction. Killip and Simon (Killip and Simon (2003)) have given a revival interest to thi...