Computing the arrangement of circles on a sphere, with applications in structural biology

Autor: Cazals, Frédéric, Loriot, Sébastien

Publikováno v: In Computational Geometry: Theory and Applications 2009 42(6):551-565

Arrangements de cercles sur une sphère: Algorithmes et Applications aux modèles moléculaires representés par une union de boules

Autor: Loriot, Sebastien

Publikováno v: Mathematics [math]. Université de Bourgogne, 2008. English
Mathematics [math]. Université de Bourgogne, 2008. English. ⟨NNT : ⟩

Since the early work of Richard et al., geometric constructions havebeen paramount for the description of macromolecules and macro-molecularassemblies. In particular, Voronoï and related constructions have beenused to describe the packing properties

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c531e0b841995a513cd260043342ea2a
https://tel.archives-ouvertes.fr/tel-00345002/file/SL_thesis.pdf

A geometric knowledge-based coarse-grained scoring potential for structure prediction evaluation

Autor: Loriot, Sebastien, Cazals, Frédéric, Levitt, Michael, Bernauer, Julie

Publikováno v: Journées Ouvertes en Biologie, Informatique et Mathématiques (JOBIM)
Journées Ouvertes en Biologie, Informatique et Mathématiques (JOBIM), Société Française de Bioinformatique, Jul 2009, Nantes, France

International audience; Knowledge-based protein folding potentials have proven successful in the recent years. Based on statistics of observed interatomic distances, they generally encode pairwise contact information. In this study we present a metho

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::07aba82dcc1882f8429e1a14a90627f1
https://inria.hal.science/inria-00429607

Computing the Volume of a Union of Balls: a Certified Algorithm

Autor: Cazals, Frédéric, Harshad, Kanhere, Loriot, Sebastien

Publikováno v: [Research Report] RR-7013, INRIA. 2009, pp.25

Balls and spheres are amongst the simplest 3D modeling primitives, and computing the volume of a union of balls is an elementary problem. Although a number of strategies addressing this problem have been investigated in several communities, we are no

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______165::efe7d99742e37489dffcea19cd654c32
https://inria.hal.science/inria-00409374/file/RR-7013.pdf

On the Characterization and Selection of Diverse Conformational Ensembles, with Applications to Flexible Docking

Autor: Loriot, Sebastien, Sachdeva, Sushant, Bastard, Karine, Prevost, Chantal, Cazals, Frédéric

Publikováno v: [Research Report] RR-6503, INRIA. 2009

To address challenging flexible docking problems, a number of docking algorithms pre-generate large collections of candidate conformers. To remove the redundancy from such ensembles, a central problem in this context is to report a selection of confo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::520ce355f8c3d4257ba20a828f15f2d3
https://hal.inria.fr/inria-00252046v3/file/rr-v1.pdf