Zobrazeno 1 - 10
of 178
pro vyhledávání: '"Henri Orland"'
Autor:
Patrice Koehl, Henri Orland
Publikováno v:
Algorithms, Vol 17, Iss 5, p 212 (2024)
Linear assignment problems hold a pivotal role in combinatorial optimization, offering a broad spectrum of applications within the field of data sciences. They consist of assigning “agents” to “tasks” in a way that leads to a minimum total co
Externí odkaz:
https://doaj.org/article/e0d3a37902224b718a95772651cfd296
Autor:
Patrice Koehl, Henri Orland
Publikováno v:
Algorithms, Vol 16, Iss 7, p 346 (2023)
A new algorithm is presented to compute nonrigid, possibly partial comparisons of shapes defined by unstructured triangulations of their surfaces. The algorithm takes as input a pair of surfaces with each surface given by a distinct and unrelated tri
Externí odkaz:
https://doaj.org/article/f1b75d790f1d4b72a886f8bedc358da2
Publikováno v:
Viruses, Vol 15, Iss 6, p 1366 (2023)
The current SARS-CoV-2 pandemic highlights our fragility when we are exposed to emergent viruses either directly or through zoonotic diseases. Fortunately, our knowledge of the biology of those viruses is improving. In particular, we have more and mo
Externí odkaz:
https://doaj.org/article/0f683c51a2ac4240afe5f442faadb01a
Publikováno v:
Algorithms, Vol 16, Iss 3, p 131 (2023)
The Gromov-Wasserstein (GW) formalism can be seen as a generalization of the optimal transport (OT) formalism for comparing two distributions associated with different metric spaces. It is a quadratic optimization problem and solving it usually has c
Externí odkaz:
https://doaj.org/article/e56ddd45039b48349f11a06a7d9d1152
Publikováno v:
Molecules, Vol 24, Iss 1, p 104 (2018)
Residues in proteins that are in close spatial proximity are more prone to covariate as their interactions are likely to be preserved due to structural and evolutionary constraints. If we can detect and quantify such covariation, physical contacts ma
Externí odkaz:
https://doaj.org/article/c959003fedcb4855b7973cbdd32804ef
Autor:
Cristian Micheletti, Henri Orland
Publikováno v:
Polymers, Vol 9, Iss 6, p 196 (2017)
We propose a stochastic method to generate exactly the overdamped Langevin dynamics of semi-flexible Gaussian chains, conditioned to evolve between given initial and final conformations in a preassigned time. The initial and final conformations have
Externí odkaz:
https://doaj.org/article/6a3c803cdfe4438bbac177c9fa2b4c3f
Publikováno v:
PLoS Computational Biology, Vol 6, Iss 7, p e1000864 (2010)
Knotted proteins, because of their ability to fold reversibly in the same topologically entangled conformation, are the object of an increasing number of experimental and theoretical studies. The aim of the present investigation is to assess, on the
Externí odkaz:
https://doaj.org/article/0c3817c758fb4c96a4680b7595ecd67b
Publikováno v:
Algorithms
Volume 16
Issue 3
Pages: 131
Volume 16
Issue 3
Pages: 131
The Gromov-Wasserstein (GW) formalism can be seen as a generalization of the optimal transport (OT) formalism for comparing two distributions associated with different metric spaces. It is a quadratic optimization problem and solving it usually has c
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2021, Online Version of Record before inclusion in an issue, ⟨10.1002/jcc.26701⟩
Journal of Computational Chemistry, Wiley, 2021, 42 (23), pp.1643-1661. ⟨10.1002/jcc.26701⟩
Journal of Computational Chemistry, 2021, 42 (23), pp.1643-1661. ⟨10.1002/jcc.26701⟩
Journal of Computational Chemistry, Wiley, 2021, Online Version of Record before inclusion in an issue, ⟨10.1002/jcc.26701⟩
Journal of Computational Chemistry, Wiley, 2021, 42 (23), pp.1643-1661. ⟨10.1002/jcc.26701⟩
Journal of Computational Chemistry, 2021, 42 (23), pp.1643-1661. ⟨10.1002/jcc.26701⟩
International audience; Coarse-grained normal mode analyses of protein dynamics rely on the idea that the geometry of a protein structure contains enough information for computing its fluctuations around its equilibrium conformation. This geometry is
The electric conductivity of ionic solutions is well understood at low ionic concentrations of up to a few millimolar but becomes difficult to unravel at higher concentrations that are still common in nature and technological applications. A model fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e891686188762a21f6cb89722eef0b31
http://arxiv.org/abs/2207.10116
http://arxiv.org/abs/2207.10116