Webinar: Gateway Showcase featuring I-TASSER and Chem Compute

I-TASSER Science Gateway for Protein Structure and Function Prediction
Chengxin Zhang, S. M. Mortuza, and Yang Zhang
Department of Computational Medicine and Bioinformatics, University of Michigan

Chem Compute Science Gateway: Computational Chemistry for Undergraduates
Presented by Mark Perri, Assistant Professor of Chemistry, Sonoma State University

Abstract: We report on our efforts to provide a free, easy to use, but powerful interface for undergraduate students to submit computational jobs. Computational experiments are critical for engaging students in Physical Chemistry because they provide the opportunity for visualization of concepts, such as molecular orbitals. The Chem Compute Science Gateway allows students to submit jobs to the NSF XSEDE supercomputer network. Students can submit jobs using the GAMESS (General Atomic and Molecular Electronic Structure System) ab initio quantum chemistry package and the TINKER Molecular Modeling Package (Molecular Dynamics).