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- Centre National de la Recherche ScientifiqueFR66 papers
- Sorbonne UniversitéFR61 papers
- Institut de Biologie Paris-SeineFR32 papers
- Université Pierre-et-Marie-CurieFR23 papers
- École Normale Supérieure - PSLFR17 papers
- Laboratoire de Physique de l'Ecole Normale SupérieureFR16 papers
- Politecnico di TorinoIT16 papers
- Université Paris Sciences et LettresFR13 papers
- Italian institute for Genomic MedicineIT12 papers
- Laboratoire Jacques-Louis LionsFR11 papers
- University of MilanIT11 papers
- Sapienza University of RomeIT9 papers
90 papers
Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
Yongchan Hong, Defu Cao, Wenjin Liu +6
Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction t…
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…
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…
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…
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…
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…