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Protein farnesyltransferase: Flexible docking studies on inhibitors using computational modeling
Guida, et al. J. Comput. Aided Mol. Des., 2005, 19, 871-85- Publication
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AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids
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Evaluation of Computational Chemistry Methods: Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes
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Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors
Claramunt, et al. Biosens. Bioelectron., 2004, 20, 1242-1249- Publication
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Thermodynamic and kinetic stability of synthetic multifunctional rigid-rod beta-barrel pores: Evidence for supramolecular catalysis
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Global and local computational models for aqueous solubility prediction of drug-like molecules
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Novel Bicyclic Sugar Modified Nucleosides: Synthesis, Conformational Analysis and Antiviral Evaluation
Kifli, et al. Bioorg. Med. Chem., 2004, 12, 3247-3257- Publication
- Sep 8, 2015
Combining NMR and Molecular Modelling in a Drug Delivery Context: Investigation of the Multi-Mode Inclusion of a New NPY-5 Antagonist Bromobenzenesulfonamide into ‘-Cyclodextrin
Uccello-Barretta, et al. Bioorg. Med. Chem., 2004, 12, 447-458- Publication
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Improved docking of polypeptides with Glide
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