With the emergence of innovative technologies, including combinatorial chemistry, high-throughput screening, computer-aided drug design (CADD), artificial intelligence (AI) and big data, the importance of drug design in the field of drug discovery and development is increasing. Additionally, education in drug design plays an important role in the…

The computer-aided drug design (CADD) course that spans biochemistry, computational chemistry, medicinal chemistry, and other cutting-edge sciences is considered an important course by pharmaceutical universities in China. The course teaches students how drugs bind to protein targets and exert their biological activities using computer tools, and…

The pharmaceutical industry has been a major player in improving life expectancies and driving chemistry employment. While computational chemistry tools increasingly guide pharmaceutical research decisions, high school and undergraduate chemistry curricula do not reflect the prevalence of such techniques. Incorporation of computational tools into…

Upper-division undergraduate students are introduced to polymer processing using material extrusion fused filament fabrication 3D printing to make poly(lactic acid) (PLA) mechanical testing specimens. Computer aided design and slicing software packages are used to demonstrate the process of preparing 3D computer models for printing. Following the…

A series of computational laboratory experiments aimed at teaching students principles of rational drug design are described and evaluated. These experiments range from an introduction to viewing protein-ligand complexes to optimizing geometries of potential drugs with quantum chemistry and automated docking. Student feedback indicates that such a…

3D printers can do a lot more than just printing nice little giveaways such as keyring pendants or chess pieces. During a project at the Holbein-Gymnasium Augsburg in Bavaria, Germany, students developed a number of helpful tools for chemistry lessons and tested them in classes. Full details of these are now available for free to any teacher who…

Chemistry in high school is often presented as a jumbled mass of topics drawn from inorganic, analytical, and physical sub-disciplines. With no central theme to build on, students may have trouble grasping the chemical sciences as a coherent field. In this article, Stowe and Elvey describe an activity that integrates different facets of chemistry…

Additive manufacturing (3D printing) is a technology with near-unlimited potential for the chemical educator. However, its adoption into higher education has been limited by the dual requirements of expertise in 3D printing and 3D computer-aided design (CAD). Thus, its reported utilization in the chemistry curriculum has been within the creation…

Self-regulated learning (SRL) environments provide students with activities to improve their learning (e.g., by solving exercises), but they might also provide optional activities (e.g., changing an avatar image or setting goals) where students can decide whether they would like to use or do them and how. Few works have dealt with the use of…

The essentials of Monte Carlo integration are presented for use in an upper-level physical chemistry setting. A Mathcad document that aids in the dissemination and utilization of this information is described and is available in the Supporting Information. A brief outline of Monte Carlo integration is given, along with ideas and pedagogy for…

Purpose: The purpose of this scientific monograph is to show new and creative approaches to different school subjects in primary and secondary level. Methodology: Interdisciplinary and international comparative approaches were used. Now according to the 7th Framework Program, the preferred form of Science Education (www.scientix.eu) is preferred…

Describes a set of Mathcad instrument simulations and documents that introduce important concepts for instrumental analysis. Enables students to adjust parameters and optimize an instrument in a timely fashion. (DDR)

It has become widely accepted that the computer is an indispensable tool in the study of science and technology. Thus, in recent years curricular programs such as Industrial Technology and associated scientific disciplines have been adopting and adapting the computer as a tool in new and innovative ways to support teaching, learning, and research.…