667 citations · 667 across the 2 of their papers we have counts for
3 papers
Exploring the World of Lipids with Machine-Learned Coarse-Grained Models
Aldo S. Pasos-Trejo, Daniel P. Ramirez-Echemendia, Daniel Conde-Torres +2
Lipid bilayers are central to cellular organization and function, yet their atomistic modelling remains constrained by its high computational cost. While coarse-grained (CG) models…
Interface-Driven Peptide Folding: Quantum Computations on Simulated Membrane Surfaces
Daniel Conde-Torres, Mariamo Mussa-Juane, Daniel Faílde +3
Antimicrobial peptides (AMPs) play important roles in cancer, autoimmune diseases, and aging. A critical aspect of AMP functionality is their targeted interaction with pathogen mem…
The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies
Alexandre Blanco-Gonzalez, Alfonso Cabezon, Alejandro Seco-Gonzalez +4
Artificial intelligence (AI) has the potential to revolutionize the drug discovery process, offering improved efficiency, accuracy, and speed. However, the successful application o…