Biochemistry is about structure and function, but it is also about data and this is where computers come in. From my time as a graduate student and post doc, whenever I encountered data I thought, "I can work this up by hand, but I think a computer could do a better job." Since that time, I have been working at the interface of…

As part of COVID-19 preparedness, a student-developed, Android-based app was used as a pre-laboratory learning aid for a molecular modeling laboratory in a first-year general chemistry course. A worksheet activity with trigger codes and questions related to spatial features of transition metal complexes was designed. Using the Transition Metal…

Visualizing molecular conformations and complex compound structures and chemical transformations in 3D is one of the most difficult tasks for undergraduate chemistry students. Modern computational technologies have revolutionized every aspect of our lives, including education. As a result, many researchers and educators are working on enhancing…

Visualization can be a motivating way to teach students about molecules. Nowadays, the available experimental data and accurate computational results allow students to build realistic and accurate molecular models. These models include the representation of complex systems such as proteins, membranes, or nanotubes. However, the visualization of…

Atomic/molecular visualization for human sight is usually generated by a software that reproduces a 3D reality on a 2D screen. Although Virtual Reality (VR) software was originally developed for the gaming industry, now it is used in academia for chemistry teaching. This work reviews the scientific literature on 3D visualization in stereoscopic…

Student-generated drawings are known to be effective in building and revealing students' conceptions of chemistry. Some chemistry concepts, moreover, include changes and processes that cannot be merely represented by static drawings. Computer-based animations are needed to represent the dynamics. In this study, 25 chemistry student teachers, who…

Molecular symmetry and orbitals are two important chemical concepts which can be difficult for students to visualize in three dimensions; as such, instructors have traditionally adopted a variety of approaches to teach them including the use of physical models and digital renderings/resources. This paper describes a new mobile device application…

Biology and biochemistry students must learn to visualize and comprehend the complex three-dimensional (3D) structures of macromolecules such as proteins or DNA. However, most tools available for teaching biomolecular structures typically operate in two dimensions. Here, we present protocols and pedagogical approaches for using immersive augmented…

An augmented reality (AR) application and an activity worksheet have been developed to support students in visualizing the concepts involved when solving [superscript 1]H NMR problems. This instructional resource was designed to encourage conceptual problem-solving and prevent memorization by eliminating the use of chemical shift tables. It uses…

Structural biology education commonly employs molecular visualization software, such as PyMol, RasMol, and VMD, to allow students to appreciate structure--function relationships in biomolecules. In on-ground, classroom-based education, these programs are commonly used on University-owned devices with software preinstalled. Remote education…

Understanding macromolecular structures is essential for biology education. Augmented reality (AR) applications have shown promise in science, technology, engineering, and mathematics (STEM) education, but are not widely used for protein visualization. While there are some tools for AR protein visualization, none of them are accessible to the…

Facile visualization of biomolecules is an essential component of the undergraduate biochemistry curriculum. In the past, a number of tools have been used to display biomolecules. More recently, the advent of greater accessibility to virtual reality (VR) and augmented reality (AR) programs has created a new mechanism to visualize biomolecules.…

Three-dimensional visualization of molecular simulations in virtual reality (VR) is an emerging teaching tool in chemical education. This work describes a VR application which can generate a 3D molecular dynamics (MD) simulation from arbitrary molecular structures and renders that MD simulation trajectory on a VR headset in real-time. This system…

Visualization of three-dimensional (3D) elements has always played a huge role in chemistry education. At the same time, it is a challenge to teach with most representations being shown in two-dimensional (2D) media. With the recent rise of extended reality (XR) that includes virtual and augmented reality (VR/AR) technology in higher education,…

An application for visualizing the aggregation of structureless atoms is presented. The application allows us to demonstrate on a qualitative basis, as well as by quantitatively monitoring the aggregate surface/volume ratio, that the enhanced reactivity of nanoparticles can be connected with their large specific surface. It is suggested that,…