Developing macrocyclic peptides that can reach intracellular targets is a significant
challenge. This review discusses the most recent strategies used to develop cell permeable …

In recent years, the advent of new experimental methodologies for studying the high
complexity of the human genome and proteome has led to the generation of an increasing …

Structural biology aims at characterizing the structural and dynamic properties of biological
macromolecules at atomic details. Gaining insight into three dimensional structures of …

Modeling the effect of mutations on protein thermodynamics stability is useful for protein
engineering and understanding molecular mechanisms of disease-causing variants. Here …

There have been numerous advances in the development of computational and statistical
methods and applications of big data and artificial intelligence (AI) techniques for computer …

Proteins play important roles in living organisms, and their function is directly linked with
their structure. Due to the growing gap between the number of proteins being discovered …

Identification of hot spots, a small portion of protein-protein interface residues that contribute
the majority of the binding free energy, can provide crucial information for understanding the …

Hot spots are the subset of interface residues that account for most of the binding free
energy, and they play essential roles in the stability of protein binding. Effectively identifying …

Quantitative evaluation of binding affinity changes upon mutations is crucial for protein
engineering and drug design. Machine learning‐based methods are gaining increasing …

Experimental detection of residues critical for protein-protein interactions (PPI) is a
timeconsuming, costly, and labor-intensive process. Hence, high-throughput PPI-hot spot …