Bitter peptides are small molecular peptides produced by the hydrolysis of proteins under
acidic, alkaline, or enzymatic conditions. These peptides can enhance food flavor and offer …

Recent breakthroughs in deep learning have revolutionized protein sequence and structure
prediction. These advancements are built on decades of protein design efforts, and are …

Diffusion models have become a leading method for generative modeling of both image and
scientific data. As these models are costly to train and evaluate, reducing the inference cost …

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living
matter and have tremendous implications in healthcare, manufacturing, and biotechnology …

The design of porous materials with user-desired properties has been a great interest for the
last few decades. However, the flexibility of target properties has been highly limited, and …

Molecular dynamics (MD) simulations of protein-ligand complexes are essential for
computer-aided drug design. In particular they enable the calculation of free energies and …

AlphaFold and similar groundbreaking, AI‐based tools, have revolutionized the field of
structural bioinformatics, with their remarkable accuracy in ab‐initio protein structure …