output
20112026
most citedDirect-coupling analysis of residue co-evolution captures native contacts across many protein families

1.6k citations

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7 papers · 1 filter

stat.ML2025

Minima and Critical Points of the Bethe Free Energy Are Invariant Under Deformation Retractions of Factor Graphs

Grégoire Sergeant-Perthuis, Léo Boitel

In graphical models, factor graphs, and more generally energy-based models, the interactions between variables are encoded by a graph, a hypergraph, or, in the most general case, a…

q-bio.PE2025

Likelihood-free inference of phylogenetic tree posterior distributions

Luc Blassel, Noémie Sauvage, Pierre Barrat-Charlaix +3

Phylogenetic inference, the task of reconstructing how related sequences evolved from common ancestors, is a central objective in evolutionary genomics. The current state-of-the-ar…

cs.CV2025★ 3 cited

SHREC 2025: Protein surface shape retrieval including electrostatic potential

Taher Yacoub, Camille Depenveiller, Atsushi Tatsuma +25

This SHREC 2025 track dedicated to protein surface shape retrieval involved 9 participating teams. We evaluated the performance in retrieval of 15 proposed methods on a large datas…

cond-mat.soft2025

Chirality transfer in lyotropic twist-bend nematics

Anna Ashkinazi, Hemani Chhabra, Anouar El Moumane +2

Using molecular simulations and classical density functional theory, we study the liquid-crystalline phase behaviour of a series of bent rod-like mesogens with a controlled degree…

cs.LG2025★ 2 cited

Bottom-up Iterative Anomalous Diffusion Detector (BI-ADD)

Junwoo Park, Nataliya Sokolovska, Clément Cabriel +2

In recent years, the segmentation of short molecular trajectories with varying diffusive properties has drawn particular attention of researchers, since it allows studying the dyna…

math.AP2025★ 1 cited

Strongly nonlinear age structured equation,time-elapsed model and large delays

Benoît Perthame, Delphine Salort, Clément Rieutord

The time-elapsed model for neural networks is a nonlinear age structured equationwhere the renewal term describes the network activity and influences the dischargerate, possibly wi…

q-bio.QM2025★ 1 cited

adabmDCA 2.0 -- a flexible but easy-to-use package for Direct Coupling Analysis

Lorenzo Rosset, Roberto Netti, Anna Paola Muntoni +2

In this methods article, we provide a flexible but easy-to-use implementation of Direct Coupling Analysis (DCA) based on Boltzmann machine learning, together with a tutorial on how…