Cdc6, a subunit of the pre-replicative complex (pre-RC), contains multiple regulatory cyclin-
dependent kinase (Cdk1) consensus sites, SP or TP motifs. In Saccharomyces cerevisiae …

Motivation Protein model quality assessment (QA) is an essential component in protein
structure prediction, which aims to estimate the quality of a structure model and/or select the …

Motivation Accurately estimating protein model quality in the absence of experimental
structure is not only important for model evaluation and selection but also useful for model …

Abstract Machine learning research concerning protein structure has seen a surge in
popularity over the last years with promising advances for basic science and drug discovery …

Motivation An accurate estimation of the quality of protein model structures typifies as a
cornerstone in protein structure prediction regimes. Despite the recent groundbreaking …

The nature and strength of interactions for an anti-HIV drug, Lamivudine, were studied in a
pure crystal form of the drug and the ligand–receptor complexes. High-resolution single …

Proteins are miniature machines whose function depends on their three-dimensional (3D)
structure. Determining this structure computationally remains an unsolved grand challenge …

Predicting whether two proteins physically interact is one of the holy grails of computational
biology, galvanized by rapid advancements in deep learning. AlphaFold2, although not …

We report the performance of the protein docking prediction pipeline of our group and the
results for Critical Assessment of Prediction of Interactions (CAPRI) rounds 38‐46. The …

This paper employs a formal connection of machine learning with thermodynamics to
characterize the quality of learnt representations for transfer learning. We discuss how …