Molecular modelling methods are used routinely to investigate the structure, dynamics, surface properties, and thermodynamics of inorganic, biological, and polymeric systems. A large …

Click one of the subjects below to learn more. You can also watch some videos on YouTube to get started. Selection tools: all these tool can be used to drag the current selection or …

A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding chemistry and generating and testing …

Chemical process modeling is a computer modeling technique used in chemical engineering process design. It typically involves using purpose-built software to define a system of …

Nov 22, 2019 · Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint …

Oct 30, 2006 · Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers …

Dec 11, 2023 · Chemical reactions underpin molecular construction and transformation that define biological processes and the science of new materials. These dynamic processes, involving …

4 days ago · Coarse-grained (CG) models simplify molecular representations by grouping multiple atoms into effective particles, enabling faster simulations and reducing the chemical …

Explore OCHEM data Search chemical and biological data: experimentally measured, published and exposed to public access by our users. You can also upload your data. Create QSAR …

4 days ago · The ChatChemTS application employs a ReAct framework [] that enables LLMs to generate reasonable responses and take appropriate actions, including the use of predefined …