Journal of Computer-Aided Molecular Design

Development and validation of a modular, extensible docking program: DOCK 5
pp. 601-619(19)
Authors: Moustakas, Demetri; Lang, P.; Pegg, Scott; Pettersen, Eric; Kuntz, Irwin; Brooijmans, Natasja; Rizzo, Robert

Molecular modeling and bioinformatical analysis of the antibacterial target enzyme MurA from a drug design perspective
pp. 621-628(8)
Authors: Klein, Christian; Bachelier, Anke

Conformational specificity of non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysis
pp. 629-645(17)
Authors: Mukherjee, Shayantani; Bansal, Manju; Bhattacharyya, Dhananjay

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
pp. 647-671(25)
Authors: Dixon, Steven; Smondyrev, Alexander; Knoll, Eric; Rao, Shashidhar; Shaw, David; Friesner, Richard

Molecular dynamics simulation of the human adenosine A₃ receptor: agonist induced conformational changes of Trp243
pp. 673-684(12)
Authors: Hallmen, Christian; Wiese, Michael

Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
pp. 685-701(17)
Authors: Marrero-Ponce, Yovani; Torrens, Francisco; Alvarado, Ysaias; Rotondo, Richard