Northeast Regional Meeting

Computer Aided Drug Discovery


DoubleTree by Hilton Hotel Binghamton
Arlington Room A

Computer Aided Drug Discovery

A. Schlessinger, Organizer, Presiding

1:00 Introductory Remarks.

1:05 85. Design of heterochiral peptides to target protein-protein interactions in Influenza. V. Nanda

1:30 86. Computational detection of steric and electrostatic influences on protein binding specificity. B.Y. Chen

1:55 87. Structural characterization of substrate transport selectivity of the SLC13 Family of Na +/dicarboxylate cotransporters. C. Colas, A.M. Pajor, A. Schlessinger

2:20 Intermission.

2:35 88. Permeation, gating, and modulation of a TRP channel. H. Koldsø

3:00 89. DFGmodel: Predicting protein kinase structures in inactive states and application in structure-based discovery of type-II inhibitors. P. Ung, A. Schlessinger


3:25 90. Computational understanding of drug resistance of HCV NS3/4A protease: The curious R155K_D168A variant. Z. Guo