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Journal of Computer-Aided Molecular Design|September 12, 2012
Mechanism of falcipain-2 inhibition by α,β-unsaturated benzo[1,4]diazepin-2-one methyl esterGiovanni Grazioso, Laura Legnani, Lucio Toma, et al.Journal of Computer-Aided Molecular Design|September 14, 2012
Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistryNicolas Galland, Soleymane Kone, Jean-Yves Le QuestelJournal of Computer-Aided Molecular Design|August 7, 2012
Using halogen bonds to address the protein backbone: a systematic evaluationRainer Wilcken, Markus O Zimmermann, Andreas Lange, et al.Journal of Computer-Aided Molecular Design|August 5, 1998
Structural models of antibody variable fragments: a method for investigating binding mechanismsS Petit, F Brard, G Coquerel, et al.Journal of Computer-Aided Molecular Design|September 19, 2012
Computational discovery of putative quorum sensing inhibitors against LasR and RhlR receptor proteins of Pseudomonas aeruginosaAngusamy Annapoorani, Venugopal Umamageswaran, Radhakrishnan Parameswari, et al.Journal of Computer-Aided Molecular Design|September 22, 2012
Statistical analyses and computational prediction of helical kinks in membrane proteinsY-H Huang, C-M ChenJournal of Computer-Aided Molecular Design|September 18, 2012
Computational design of a Diels-Alderase from a thermophilic esterase: the importance of dynamicsMats Linder, Adam Johannes Johansson, Tjelvar S G Olsson, et al.Journal of Computer-Aided Molecular Design|September 8, 2012
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enaminesAgata Martyniak, Jarosław Panek, Aneta Jezierska-Mazzarello, et al.Journal of Computer-Aided Molecular Design|July 27, 2012
Comprehensive model of wild-type and mutant HIV-1 reverse transciptasesFlavio Ballante, Ira Musmuca, Garland R Marshall, et al.Journal of Computer-Aided Molecular Design|September 1, 1990
Molecular structure matching by simulated annealing. I. A comparison between different cooling schedulesM T Barakat, P M DeanPageof 265