Salt Lake City, Utah, March 22-26
Talks by Schrödinger scientists at the ACS National Meeting
Schrödinger application scientists and members of the company’s Scientific Advisory Board will be presenting talks on a variety of topics in Salt Lake City. A short list of selected talks is given below. A complete list of talks is available on our website.
Selected talks by Schrödinger scientists at the spring 2009 ACS National Meeting
Richard A. Friesner: Polarizable modeling of proteins: Force
fields and empirical corrections
PHYS 33
Sunday, 3/22, 11:00 am
Convention center room 251 C
computing protein-ligand binding affinities
CINF 64
Wednesday, 3/25, 10:35 am
Convention center room 254 A
molecule free energies: Applications to PDZ binding
domains
COMP 195
Wednesday, 3/25, 1:30 pm
Convention center room 258
COMP 190
Wednesday, 3/25, 2:00 pm
Convention center room 257
oxidation using induced fit docking
COMP 217
Thursday, 2/26, 2:40 pm
Convention center room 257
One-on-one consultations with Schrödinger applications scientists
We invite you to visit the Schrödinger booth (#601) in the exhibition hall, where you can make an appointment to meet with one of Schrödinger’s applications scientists attending the Meeting. Whether you’re looking to bounce ideas on a research project or have a technical question, you’re welcome to schedule a one-on-one session. Attending scientists and the subjects of their recent projects include:
- Thijs Beuming – Free energy calculation and molecular dynamics
- Noeris Salam – Ligand-based drug design, pharmacophore modeling, and structurebased pharmacophore models
- Mee Shelley – Structure-based drug design, induced fit docking, and prediction of cytochrome p450-mediated oxidation
Introductory Workshops on general modeling and computer-aided drug design
Schrödinger is hosting two introductory workshops during the ACS. There is no cost to participate, but we kindly ask that you register in advance at our booth (#601 in the exhibition hall), as space is limited.
ACS National Meeting
Join us for a hands-on introduction to molecular modeling that uses the programs MacroModel and Jaguar for classical and quantum mechanical calculations respectively. Following a discussion on common uses of these programs in research and in education, attendees will get an opportunity to carry out various modeling experiments including energy minimization, conformation search, and transition state identification, all within Schrödinger's unified graphical interface – Maestro. Attendees will receive a step-by-step tutorial with corresponding example files that can be used for future training.
Thursday, March 26th, 10 AM to 12:30 PM
INSCC Auditorium room 110, University of Utah campus
This workshop will introduce attendees to Schrödinger's full line of drug design software for both structure- and ligand-based research. A presentation of real-life applications will be followed by hands-on introduction to Schrödinger's unified graphical user interface, Maestro. Attendees will get an opportunity to learn how to set up calculations and analyze results using Maestro.