1 citations · 1 across the 1 of their papers we have counts for
2 papers
cs.AI2025★ 1 cited
DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations
Salomé Guilbert, Cassandra Masschelein, Jeremy Goumaz +2
Force field-based molecular dynamics (MD) simulations are indispensable for probing the structure, dynamics, and functions of biomolecular systems, including proteins and protein-l…
cs.LG2023
CongFu: Conditional Graph Fusion for Drug Synergy Prediction
Oleksii Tsepa, Bohdan Naida, Anna Goldenberg +1
Drug synergy, characterized by the amplified combined effect of multiple drugs, is critically important for optimizing therapeutic outcomes. Limited data on drug synergy, arising f…