3 papers
cs.LG2026
Accurate structural modeling of chemically diverse molecular interfaces with Vilya-2
Vilya Research, :, Pascal Sturmfels +10
Structure-prediction networks built on co-evolutionary statistics have transformed protein-based drug discovery, yet their accuracy does not extend to peptide therapeutics--an incr…
cs.LG2026
Vilya-1: An all-atom foundation model for macrocycle structure prediction and design
Vilya Research, :, Pascal Sturmfels +8
Macrocyclic peptides are an increasingly important therapeutic modality, but existing computational methods for modeling their structures and properties are limited in scope and do…
q-bio.BM2016
Computationally Discovered Potentiating Role of Glycans on NMDA Receptors
Anton V. Sinitskiy, Nathaniel H. Stanley, David H. Hackos +3
N-methyl-D-aspartate receptors (NMDARs) are glycoproteins in the brain central to learning and memory. The effects of glycosylation on the structure and dynamics of NMDARs are larg…