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Recently Published Articles

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ABAG-Rank: Improving Model Selection of AlphaFold Antibody-Antigen Complexes by Learning to Rank

Matteo Tadiello, Marko Ludaic, Vsevolod Viliuga, Arne Elofsson

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Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics-Based Optimization with Limited Activity Data

Maximilian Krebs, Herre Jelger Risselada

|September 4, 2026

DyProL: Dynamic Ensemble Representation Learning for Protein-Nucleic Acid Binding Site Prediction

Pengpai Li, Yiman Liu, Liya Liang, Rongming Liu

|September 4, 2026

Computational Design and Theoretical Evaluation of Novel Heterocyclic Energetic Materials Based on 5-H-Imidazo-[4,5-c]-Pyridazine and 1,2,4-Triazolo-[4,3-a]-Pyrazine Scaffolds

Luciana Amorim da Silva, Nathália Magalhães Paixão Rosa, Danillo Fernando Vianna Cantini, Aline Cardoso Anastácio

|September 4, 2026

Dimerization and Ligand Binding Rewire Allosteric Networks in SARS-CoV-2 Main Protease

Javier Sanlley Hernandez, Carla Calvó-Tusell, Fiona Kearns, Mac Kevin E Braza, Rommie E Amaro

|September 4, 2026

Study on Vessel Morphological Characteristics and Environmental Adaptability of 10 Gentianaceae Species From the Qinghai-Xizang Plateau

Ling Zheng, Yaqi Han, Xiaoyu Zhou, Pengcheng Fu