CD ComputaBio articles
Due to the bondage of the electric field of the nucleus, electrons in atoms, ions, or molecules generally have many different energy levels. When at the lowest possible energy level, the electrons in these molecules are in the ground state, and when at a higher energy level, these electrons are transferred to the excited state. As the electron grows from the ground state to the excited state, the distribution of the electron cloud will undergo some changes, the equilibrium distance between th
Structure-based Pharmacophore
Molecular docking technology remains the most popular structure-based drug design method, which takes full advantage of protein-ligand interaction information. However, in virtual screening, compared with molecular docking, pharmacophore-based methods have obvious advantages in terms of computational cost and accuracy, and docking-based virtual screening methods show a higher false positive rate. Therefore, combining complementary
In the vast and intricate world of biology, the development of proteins and antibodies stands as a crucial field of study, driving advancements in medicine, biotechnology, and beyond. From the fundamental building blocks of life to the complex molecules that defend our bodies, these remarkable biomolecules hold the key to unlocking new frontiers in scientific understanding and practical applications.
At the heart of this endeavor lies the process of affinity maturation, a
As professional biologists, we are enthralled by the intricate dance of life's catalysts - enzymes. These remarkable protein molecules are the unsung heroes of the biological world, orchestrating the myriad chemical reactions that sustain and power the living organisms around us. To truly understand the structural and functional intricacies of these vital biomolecules, we turn to the powerful tool of enzyme molecular dynamics simulation.
Protein-small molecule docking is a computational technique used to predict the binding mode of a small molecule to a protein. This technique has emerged as a powerful tool in drug discovery and design. Docking services can be used to identify potential drug candidates, optimize the activity and selectivity of drugs, predict the toxicity of drugs, and design new proteins with specific functions.
One of the key advantages of protein-small molecule docking services is the s