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On the Reconstruction of Three-dimensional Protein Structures from Contact Maps |
| Journal: Algorithms |
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Journal Details |
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Issn: 19994893 |
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Country: Switzerland |
| Keywords: computer science, interdisciplinary applications, software engineering, artificial intelligence |
| Language: English |
| Publisher: Molecular Diversity Preservation International (MDPI) |
| Link: http://www.mdpi.com/1999-4893/2/1/76/ |
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| Author: Pietro Di Lena ; Marco Vassura ; Luciano Margara ; Piero Fariselli ; Rita Casadio |
| Year: 2009 Issue: 1 Views: 10 |
| The problem of protein structure prediction is one of the long-standing goals of Computational Bio |
| More Abstract.. |
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| Issn:19994893 |
The problem of protein structure prediction is one of the long-standing goals of Computational Biology. Although we are still not able to provide first principle solutions, several shortcuts have been discovered to compute the protein three-dimensional structure when similar protein sequences are available (by means of comparative modeling and remote homology detection). Nonetheless, these approaches can assign structures only to a fraction of proteins in genomes and ab-initio methods are still needed. One relevant step of ab-initio prediction methods is the reconstruction of the protein structures starting from inter-protein residue contacts. In this paper we review the methods developed so far to accomplish the reconstruction task in order to highlight their differences and similarities. The different approaches are fully described and their reported performances, together with their computational complexity, are also discussed. |
| Keywords: Protein folding ; contact map ; molecular modeling |
| Volume: 2 |
| Pages: 76-92 |
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| Issn:18424562 |
In the last decade, governments around the world have been working to capture the vast potential of the Internet to improve government processes. However, the success of these efforts depends, to a great extent, on how well the targeted users for such services, citizens in general, make use of them. Even e-government brings a certain level of transparency and offers good scope for innovative ways of servicing, some people remain suspicious of IT use in relation with government. For this reason, the purpose of the presented study was to identify what factors could affect the citizens’ trust in e government services. The study was conducted by surveying 793 citizens from all Romanian regions. The findings indicate that citizen’s higher perception of technological and organisational trustworthiness, the quality and usefulness of e government services, the Internet experience and propensity to trust, directly enhanced the trust in e-government. Opposite, age and privacy concerns have a negative influence over trust. |
| Keywords: trust ; e-government ; information technologies ; trusting factors |
| Volume: 4 |
| Pages: 31-44 |
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| Issn:10726691 |
Eyvind Wichmann and I were both graduate students at Columbia University in the fifties, a decade of remarkable creativity by a star-studded physics faculty, which included some ten Nobel Laureates. I share some reminiscences about our time there and explain the role played in our relationship by an eightball. |
| Keywords: Eyvind Wichmann ; Columbia University ; Nobel Laureates ; eightball ; billiard ball. |
| Volume: Conference |
| Pages: 197-206 |
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| Issn:01611712 |
This paper deals with the applications of the method of semidiscretization in time to a nonlinear retarded differential equation with a nonlocal history condition. We establish the existence and uniqueness of a strong solution. Finally, we consider some applications of the abstract results. |
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| Volume: 2004 |
| Pages: 1943-1956 |
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| Issn:01611712 |
The chromatic sum of a graph is the smallest sum of colors among all proper colorings with natural numbers. The strength of a graph is the minimum number of colors necessary to obtain its chromatic sum. A natural generalization of chromatic sum is optimum cost chromatic partition (OCCP) problem, where the costs of colors can be arbitrary positive numbers. Existing results about chromatic sum, strength of a graph, and OCCP problem are presented together with some recent developments. The focus is on polynomial algorithms for some families of graphs and NP-completeness issues. |
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| Volume: 2004 |
| Pages: 1563-1573 |
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| Issn:10726691 |
In this paper we study the Hopf bifurcation for the tumor-immune system model with one delay. This model is governed by a system of two differential equations with one delay. We show that the system may have periodic solutions for small and large delays for some critical value of the delay parameter via Hopf bifurcation theorem bifurcating from the non trivial steady state. |
| Keywords: Tumor-Immune system competition ; delayed differential equations ; stability ; Hopf bifurcation ; periodic solutions. |
| Volume: Conference |
| Pages: 241-248 |
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| Issn:10726691 |
Of concern are suspension flows. These combine directed and random motions and are typically modelled by parabolic partial differential equations. Sometimes they can be better modelled (in terms of fitting the data generated by certain blood flow experiments) by hyperbolic equations, such as the telegraph equation, which have parabolic (or analytic) asymptotics. |
| Keywords: Suspensions ; telegraph equation ; Kac random walk ; semigroups of operators ; asymptotic analyticity ; Taylor dispersion ; furth-Ornstein-Taylor formula. |
| Volume: Conference |
| Pages: 39-50 |
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| Issn:10726691 |
The gradient flow approach to the Cahn-Hilliard and phase field models is developed, and some basic mathematical properties of the models, especially phase separation phenomena, are reviewed. |
| Keywords: Cahn-Hilliard equation ; phase-field equations ; phase separation ; gradient flows. |
| Volume: 2000 |
| Pages: 1-26 |
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| Issn:10726691 |
Mathematics plays a major role in contemporary fisheries management. Stock assessments often depend on elaborate models used to set catch levels and address other policy objectives. In recent years, the collapse of various important fish stocks has caused some critics to suggest that mathematical models actually obscure the truth by narrowing scientific understanding to the realm of quantifiable events. In the words of one fisherman, ``Mathematics has highjacked the definition and position of real science.' In this paper, I present a number of typical fishery models, examine their limitations, discuss controversies about their use, and explore possible alternatives. I draw on examples from economics and investment theory to illustrate the problem of making credible predictions about an uncertain future. The constraints of the real world, where people care deeply about policy consequences, have altered my scientific perspective as an applied mathematician. This paper reflects the evolution of thought that has accompanied my experience working for 28 years at the Pacific Biological Station in Nanaimo, B.C., the host city for this conference. |
| Keywords: Fishery models ; state space models ; statistical decisions. |
| Volume: Conference |
| Pages: 143-158 |
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| Issn:01611712 |
This paper deals with a broad question—to what extent is topology algebraic—using two specific questions: (1) what are the algebraic conditions on the underlying membership lattices which insure that categories for topology and fuzzy topology are indeed topological categories; and (2) what are the algebraic conditions which insure that algebraic theories in the sense of Manes are a foundation for the powerset theories generating topological categories for topology and fuzzy topology? This paper answers the first question by generalizing the Höhle-Šostak foundations for fixed-basis lattice-valued topology and the Rodabaugh foundations for variable-basis lattice-valued topology using semi-quantales; and it answers the second question by giving necessary and sufficient conditions under which certain theories—the very ones generating powerset theories generating (fuzzy) topological theories in the sense of this paper—are algebraic theories, and these conditions use unital quantales. The algebraic conditions answering the second question are much stronger than those answering the first question. The syntactic benefits of having an algebraic theory as a foundation for the powerset theory underlying a (fuzzy) topological theory are explored; the relationship between these two specific questions is discussed; the role of pseudo-adjoints is identified in variable-basis powerset theories which are algebraically generated; the relationships between topological theories in the sense of Adámek-Herrlich-Strecker and topological theories in the sense of this paper are fully resolved; lower-image operators introduced for fixed-basis mathematics are completely described in terms of standard image operators; certain algebraic theories are given which determine powerset theories determining a new class of variable-basis categories for topology and fuzzy topology using new preimage operators; and the theories of this paper are undergirded throughout by several extensive inventories of examples. |
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| Volume: 2007 |
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