We are proud to be part of BeyondBenign’s collaborative to bring toxicology to chemists across higher-ed institutions in the US. Teaching modules developed by us and our colleagues as part of the Toxicology for Chemists Curriculum are available here. Check out their latest plans for developing a platform that integrates teaching and learning needs of the Green Chemistry community.
Crash course in computational chemistry for novices (Part I – building small molecules, geometry optimizations and reaction mechanisms; Sam Vaccaro and Jakub Kostal)
Slides PDF:
Crash course in computational chemistry for novices (Part II – physicochemical property predictions, linear response calculations, Monte Carlo simulations and virtual screening; Preston Griffin and Jakub Kostal)
Slides PDF:
Tutorial for Free Energy Perturbation Calculations in MCPRO (Traci Clymer, Preston Griffin and Jakub Kostal)
MC/FEP Tutorial for Safer Chemical Design
Introduction to Computational Chemistry for High School Students (Jessica Lewer, John Peloquin, Jessica Huang, Preston Griffin and Geetesh Devineni). This is a 3-part webinar, developed by undergraduate and graduate students in KRG, focusing on 1) calculating physicochemical properties (for AP General Chemistry), 2) mechanisms and thermodynamics of chemical reactions (for AP Organic Chemistry), and 3) computer-aided drug discovery (for special topics courses related to medicinal chemistry and/or biochemistry). All 3 webinars include hands-on exercises, relying on freely available web-based tools.
Pesticides Indirect Photodegradation (PIP) Database (Pilot version)