11 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Qubit PharmaceuticalsFR5 papers
- Sorbonne UniversitéFR5 papers
- Centre National de la Recherche ScientifiqueFR4 papers
- Laboratoire de Chimie ThéoriqueFR4 papers
- Centre de Recherche en Mathématiques de la DécisionFR2 papers
- Institut Universitaire de FranceFR2 papers
- Laboratoire MédiationsFR2 papers
- Université Paris 1 Panthéon-SorbonneFR2 papers
- Université Paris CitéFR2 papers
- Central China Normal UniversityCN1 paper
- Conservatoire National des Arts et MétiersFR1 paper
- Institute for Basic ScienceKR1 paper
9 papers
Exploring Nucleon Structure and the Proton Mass Problem through Holographic QCD
Jiali Deng, Defu Hou
Understanding the internal structure of the proton-including the distributions of quarks and gluons and their contributions to proton properties such as mass-remains a central chal…
Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations
Narjes Ansari, Félix Aviat, Jérôme Hénin +2
Relative Binding Free Energy (RBFE) calculations are a cornerstone of rational hit-to-lead and lead optimization in modern drug discovery. However, the high computational cost and…
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation
Côme Cattin, Thomas Plé, Olivier Adjoua +3
We present a distilled multi-time-step (DMTS) strategy to accelerate molecular dynamics simulations using foundation neural network models. DMTS uses a dual-level neural network wh…
Quartet correlations near the surface of nuclei
Yixin Guo, Tomoya Naito, Hiroyuki Tajima +1
We theoretically investigate Cooper quartet correlations in doubly-magic nuclei (, , and ). We firs…
VTX: Real-time high-performance molecular structure and dynamics visualization software
Maxime Maria, Simon Guionnière, Nicolas Dacquay +10
Summary: VTX is a molecular visualization software capable to handle most molecular structures and dynamics trajectories file formats. It features a real-time high-performance mole…
Velocity Jumps for Molecular Dynamics
Nicolaï Gouraud, Louis Lagardère, Olivier Adjoua +3
We introduce the Velocity Jumps approach, denoted as JUMP, a new class of Molecular dynamics integrators, replacing the Langevin dynamics by a hybrid model combining a classical La…
Leveraging Analog Quantum Computing with Neutral Atoms for Solvent Configuration Prediction in Drug Discovery
Mauro D'Arcangelo, Daniele Loco, Fresnel team +8
We introduce quantum algorithms able to sample equilibrium water solvent molecules configurations within proteins thanks to analog quantum computing. To do so, we combine a quantum…
Binary Diffing as a Network Alignment Problem via Belief Propagation
Elie Mengin, Fabrice Rossi
In this paper, we address the problem of finding a correspondence, or matching, between the functions of two programs in binary form, which is one of the most common task in binary…
Improved Algorithm for the Network Alignment Problem with Application to Binary Diffing
Elie Mengin, Fabrice Rossi
In this paper, we present a novel algorithm to address the Network Alignment problem. It is inspired from a previous message passing framework of Bayati et al. [2] and includes sev…