Peptide self-assembly is one of the promising bottom-up approaches for creating synthetic supermolecular architectures. Noncovalent interactions such as hydrophobic packing, electrostatic interaction, and polypeptide chain entropy (ΔSC) are the most relevant factors that affect the folding and self-assembly of peptides and the stability of supermolecular structures. The GVGV tetrapeptide is an ...

General expressions of self-energy and corresponding virial terms for electrostatic interactions in dissipative particle dynamics simulations are derived in this article. In the lattice-sum electrostatics, we found the essential process is to solve the electric field equation of each individual point charge. Strong inward pressure caused by the self-energy is eliminated by subtracting the corre...

The Problem: A number of powerful optimization techniques have been developed to deal with different aspects of molecular design problems that arise in biology and biological engineering, including the design of protein folds and protein binding interfaces. The two key examples are algorithms for optimizing packing interactions and a separate approach for optimizing electrostatic interactions. ...

Strong chain rigidity and electrostatic self-repulsion of packed double-stranded DNA in viruses require a molecular motor to pull the DNA into the capsid. However, what is the role of electrostatic interactions between different charged components in the packaging process? Though various theories and computer simulation models were developed for the understanding of viral assembly and packaging...

Short title: Self-assembly and fibrillization of the prion-like domains †The first three authors contribute equally. Abstract The mechanism of the self-assembly and fibrillization of the prion-like domains lies at the heart of their physiology and pathology. Here with the same methods previously established, we aimed to further decipher the mechanism by characterizing two prion-like sequences w...

Biologically Inspired Robots Most of the artificial flying robots are based on synchronous driving mechanism, while in article number 2100048, Liu Zhiwei, Yan Xiaojun, and co-workers demonstrate feasibility flight muscle using asynchronous by self-sustained electrostatic oscillations metal beams to power flapping wings without any AC circuits, which exhibits takeoff along guide rails self-adapt...