New Technologies for Quantum and Classical Simulations (Jaguar, MacroModel, and Maestro)"

Jason K. Perry, Jasna Klicic, George Vacek, Herc Silverstein, and Peter Shenkin,

Schrödinger, Inc.

Schrödinger, Inc. offers a full range of molecular modeling software from MacroModel (classical mechanics and dynamics) to MOPAC2000 (very fast semi-empirical quantum chemistry) to Titan and Jaguar (ab initio quantum chemistry). We will discuss some of the recent advances in these methods, including

We will demonstrate some of this software for interested users.