Molecular docking, also termed ligand docking (LD), is a pivotal element of structure-based virtual screening (SBVS) used to predict the binding conformations and affinities of protein-ligand complexes. Traditional LD methodologies rely on a search a...
Passing knowledge from human to human is a natural process that has continued since the beginning of humankind. Over the past few decades, we have witnessed that knowledge is no longer passed only between humans but also from humans to machines. The ...
Nature provides abundant inspiration and elegant paradigms for the development of smart materials that can actuate, morph, and move on demand. One remarkable capacity of living organisms is to adapt their shapes or positions in response to stimuli. P...
Living organisms have a long evolutionary history that has provided them with functions and structures that enable them to survive in their environment. The goal of biomimetic technology is to emulate these traits of living things. Research in bioins...
A micro/nanomotor (MNM), as miniaturized machinery, can potentially bridge the application gap between the traditional macroscale motor and the molecular motor to manipulate materials at the cellular scale. The fascinating biomedical potential applic...
In the past decade, versatile micro- and nanosized machines have emerged as active agents for large-scale detoxification, sensing, microfabrication, and many other promising applications. Micromachines have also been envisioned as the next advancemen...
Conformationally heterogenous or "fuzzy" proteins have often been described as lacking specificity in binding and in function. The activation domains, for example, of transcriptional activators were labeled as negative noodles, with little structure ...
In this Account, "a step toward clinical nanorobots" is proposed as one of the Holy Grails in chemistry, which could lead to a great leap in the field of biomedicines when accomplished. We review our preliminary contributions to this challenge by eng...
One day in the near future, Molly, an artificially intelligent assistant, will be able to answer almost any questions in chemistry and related disciplines. It will have a major impact on the way we perform research, education, and public outreach.