Since its introduction in 1991, Jaguar's high performance and versatility has led to its use in over 700 published studies. In this seminar, Dr. Ken Dyall, Schrödinger Senior Technical Writer and author of Introduction to Relativistic Quantum Chemistry introduces the fundamentals of ab initio modeling using Jaguar as an example. Additionally, Dr. Dyall will briefly review a selection of Jaguar workflows that have demonstrated their reliability and practicality in both published and in-house work. Jaguar product manager Dr. Dale Braden will be on hand to take questions with Dr. Dyall at the conclusion of the talk.

Developed from the ground up by D.E. Shaw Research, Desmond is an extremely fast molecular dynamics engine designed to scale well across large numbers of processors. In this seminar, Schrödinger Director of Applications Science Dr. Woody Sherman introduces Desmond and describes how to prepare explicitly solvated systems, run Desmond simulations, and visualize the results using the Maestro interface.

Maestro is the unified interface for all Schrödinger software. In this seminar, Schrödinger Media Director Mike Campbell presents an introduction to Maestro by way of example – topics covered include building structures, saving projects, setting up calculations, and working with the results of those calculations.

Several iterations after its initial release, Prime continues to undergo active development aimed at both improving the accuracy of protein structure predictions while maintaining its ease of use. The most recent release of Prime includes a number of enhancements, including changes that have resulted in greatly improved backbone RMSDs for long loop predictions. In this web seminar, Schrödinger Applications Scientist Dr. Chris Higgs reviews the results of recent Prime benchmark tests, and describes the basics of how to perform homology modeling, loop prediction, and structure refinement experiments with Prime.