Tuesday, 24 May 2005: 9:00 AM-1:30 PM

Poster Areas (Busch Campus Center)

Computers in Chemistry (COMP)

Computers in Chemistry Posters

Organizers:Wendy D. Cornell
Anita J. Brandolini
Conformational Analysis of Piperazine and Piperidine analogs of GBR12909: Effect of Force Field and Solvent
Deepangi Pandit, William Roosma, Milind Misra, Kathleen M. Gilbert, William Skawinski, Carol A. Venanzi
Computation of Through-Space NMR Shielding Effects in Peptides
Ned H. Martin, Kristin L Main, Amy K Pyles, David M. Loveless
Rebuilding the Computer-Instrument Interface of an ESR Spectrometer
Kathleen Hummel, Dr. Donald J. Hirsh
Vibrational Circular Dichroism: Absolute Configuration Determination
Linda M. Phillips, Jack Z. Gougoutas, Stephen K. Gozo, Michael Galella
Fuzzy relational clustering of molecular conformations using novel features based on DNA base-pair step parameters
Milind Misra, Deepa Pai, Rohan Woodley, Amit Banerjee, Rajesh N. Davé, Liang-Yu Shih, Xiang-Jun Lu, A. R. Srinivasan, Ph.D., Wilma K. Olson, Carol A. Venanzi
Comparative Study of Docking Programs GLIDE and GOLD for Virtual Screening
Zhiyong Zhou, Anthony K. Felts, Matt Repasky, Ronald M. Levy, Richard A. Friesner
Modeling of triclosan analogs for enoyl reductase inhibition
Jeffrey P. Wolbach, Jonilyn Longenecker, Paul Schettler
Investigating targets of antibacterial cysteine protease inhibitors
Jeffrey P. Wolbach, Leslie Vogt
Molecular docking and analysis of conformation adopted by tetrapeptide inhibitors into active site of thrombin
Cristina C. Clement, Manfred Philipp

Back to The 37th Middle Atlantic Regional Meeting (May 22-25, 2005)