arXiv AI By Wengan He, Yongsheng Luo, Lihong Jiang, Wenhui Xu, Yu Li

Protein Structure Prediction: From Evolutionary Constraints to Generative Modeling

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arXiv:2608. 16094v1 Announce Type: new Abstract: Accurate protein structure prediction is fundamental to structural biology because protein structure underlies molecular function and provides a basis for mechanistic interpretation.

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arXiv Machine Learning
Jul 14

Vilya-1: An all-atom foundation model for macrocycle structure prediction and design

arXiv:2607. 09998v1 Announce Type: new Abstract: Macrocyclic peptides are an increasingly important therapeutic modality, but existing computational methods for modeling their structures and properties are limited in scope and do not generalize well across the synthetically accessible chemical space.

By Vilya Research, :, Pascal Sturmfels, Milad Salem, Naozumi Hiranuma, Stephen Rettie, Xiaoliang Pan, Benjamin D. Sellers, Adam P. Moyer, Patrick J. Salveson, Ivan Anishchanka