Schrödinger scientists will be attending and presenting at the 241st ACS National Meeting & Exposition in Anaheim, California from March 27-31st.
Visit us at booth #902 to learn about Schrödinger's full suite of drug discovery software, including the industry-leading Glide for flexible ligand docking, and induced-fit (IFD) algorithm for modeling receptor flexibility. Also featured at this exhibit are Phase for ligand-based pharmacophore modeling, and Canvas, a full-featured chemoinformatics package. Jaguar, a high-performance quantum mechanical package, and MacroModel, a comprehensive molecular modeling program with particular strengths in conformational analyses will also be exhibited. The complete line of small molecule modeling and drug discovery tools will be available for hands-on demonstration. Schrödinger's all-purpose modeling and visualization environment, Maestro, will be distributed to all academic users at no charge.
Agenda
Sunday, March 27
8:40 am
Ballroom D/E, Anaheim Convention Center
Fifty-five years with outstanding coworkers
Professor Ronald Breslow PhD
1:20 pm
Room 210A, Anaheim Convention Center
Empirical localized orbital corrections for density functional theory
Richard A. Friesner
2:00 pm
Room 212A, Anaheim Convention Center
Molecular mehanics based method for docking and scoring
Chakrapani Kalyanaraman, Matthew P Jacobson
2:20 pm
Room 211B, Anaheim Convention Center
How to screen 1014 cores per second
Peter S Shenkin PhD, K Patrick Lorton
3:00 pm
Room 212A, Anaheim Convention Center
Protein-ligand binding free energy calculations with conformational reservoirs
Emilio Gallicchio PhD, Mauro Lapelosa, Ronald M Levy
Tuesday, March 29
8:30 am
Room 213B, Anaheim Convention Center
Evaluation of docking and scoring accuracy using a new version of Schrödinger’s Glide XP and Induced Fit Docking (IFD) methodologies
Rob Murphy, Matt Repasky, Zhiyong Zhou, Robert Abel, Goran Krilov, Ivan Tubert-Brohman, Woody Sherman, Ramy Farid, Richard A Friesner
6:00 pm
Disneyland’s South Exhibit Hall, Disneyland Hotel
Poster 172 - Prediction of loops containing secondary structure using the Protein Local Optimization Program
Edward B Miller, Dahlia A Goldfeld, Kai Zhu PhD, Suwen Zhao PhD, Professor Richard A Friesner PhD
6:00 pm
Disneyland’s South Exhibit Hall, Disneyland HotelPoster 191 - Theoretical studies of the DNA dealkylation enzyme AlkB
Michelle Lynn Hall, Edward B Miller, Dr. David Rinaldo PhD, Prof. Richard A Friesner PhD
6:00 pm
Disneyland’s South Exhibit Hall, Disneyland Hotel
Poster 222 - Predicting binding to P-glycoprotein: Flexible receptor docking study
Dr. Elena Dolgikh, Dr. Matthew Jacobson
Wednesday, March 30
6:00 pm
Poster 303 - Novel energy model for protein structural modeling
Jianing Li, Robert Abel PhD, Kai Zhu PhD, Yixiang Cao PhD, Professor Richard A Friesner PhD