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 | ||
| 430 | 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 | ||
| 431 | Computation of Through-Space NMR Shielding Effects in Peptides Ned H. Martin, Kristin L Main, Amy K Pyles, David M. Loveless | ||
| 432 | Rebuilding the Computer-Instrument Interface of an ESR Spectrometer Kathleen Hummel, Dr. Donald J. Hirsh | ||
| 433 | Vibrational Circular Dichroism: Absolute Configuration Determination Linda M. Phillips, Jack Z. Gougoutas, Stephen K. Gozo, Michael Galella | ||
| 434 | 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 | ||
| 435 | Comparative Study of Docking Programs GLIDE and GOLD for Virtual Screening Zhiyong Zhou, Anthony K. Felts, Matt Repasky, Ronald M. Levy, Richard A. Friesner | ||
| 436 | Modeling of triclosan analogs for enoyl reductase inhibition Jeffrey P. Wolbach, Jonilyn Longenecker, Paul Schettler | ||
| 437 | Investigating targets of antibacterial cysteine protease inhibitors Jeffrey P. Wolbach, Leslie Vogt | ||
| 438 | 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)