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 and Carol A. Venanzi, New Jersey Institute of Technology, Newark, NJ |
Computation of Through-Space NMR Shielding Effects in Peptides
Ned H. Martin1, Kristin L Main1, Amy K Pyles1 and David M. Loveless2, (1)UNCW, Wilmington, NC, (2)Duke University, Durham, NC |
Rebuilding the Computer-Instrument Interface of an ESR Spectrometer
Kathleen Hummel and Dr. Donald J. Hirsh, The College of New Jersey, Ewing, NJ |
Vibrational Circular Dichroism: Absolute Configuration Determination
Linda M. Phillips, Jack Z. Gougoutas, Stephen K. Gozo and Michael Galella, Bristol-Myers Squibb, Princeton, NJ |
Fuzzy relational clustering of molecular conformations using novel features based on DNA base-pair step parameters
Milind Misra1, Deepa Pai1, Rohan Woodley1, Amit Banerjee1, Rajesh N. Davé1, Liang-Yu Shih1, Xiang-Jun Lu2, A. R. Srinivasan, Ph.D.2, Wilma K. Olson2 and Carol A. Venanzi1, (1)New Jersey Institute of Technology, Newark, NJ, (2)Rutgers University, Piscataway, NJ |
Comparative Study of Docking Programs GLIDE and GOLD for Virtual Screening
Zhiyong Zhou1, Anthony K. Felts2, Matt Repasky3, Ronald M. Levy2 and Richard A. Friesner1, (1)Columbia University, New York, NY, (2)Rutgers University, Piscataway, NJ, (3)Schrodinger LLC, New York, NY |
Modeling of triclosan analogs for enoyl reductase inhibition
Jeffrey P. Wolbach, Jonilyn Longenecker and Paul Schettler, Juniata College, Huntingdon, PA |
Investigating targets of antibacterial cysteine protease inhibitors
Jeffrey P. Wolbach and Leslie Vogt, Juniata College, Huntingdon, PA |
Molecular docking and analysis of conformation adopted by tetrapeptide inhibitors into active site of thrombin
Cristina C. Clement and Manfred Philipp, Lehman College, City University of New York (CUNY), NYC, NY |