2021-07-21 11:36 Virtual screening (VS) is also referred to as computer screening. Before biological activity screening, the molecular docking software on the computer is used to simulate the interaction between the targets, and the candidate drug affinity between th ... дальше
2021-07-21 11:36 Quantum chemistry is a branch of theoretical chemistry and basic science that applies the principles and methods of quantum mechanics to study problems in chemistry. The research scope includes the structure and performance of stable and unstable mol ... дальше
2021-07-21 11:36 The three-dimensional structure of a protein provides basic information about its biological function and helps design therapeutic drugs that specifically bind to protein targets. In recent years, the number of experimentally determined protein struc ... дальше
2021-07-21 11:36 Complex networks are ubiquitous in the real world, and have statistical characteristics such as small-world and scale-free properties. The network cluster structure is one of the important topological properties of complex networks. Using clustering ... дальше
2021-07-21 11:35 Molecular dynamics is a set of molecular simulation methods that encompass physics, mathematics, and chemistry. It mainly relies on Newtonian mechanics to simulate the motion of a molecular system and to extract samples from a system composed of diff ... дальше
2021-07-21 11:35 Molecular docking is a type of bioinformatics modeling that involves the interaction of two or more molecules to produce a stable adduct. Molecular docking is an attractive scaffold to understand the interaction of drug and biomolecules for rational ... дальше
