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	81.	Molecular modeling and bioinformatical analysis of the antibacterial target enzyme MurA from a drug design perspective. [electronic resource] by Klein, Christian D Bachelier, Anke Producer: 20070307 In: Journal of computer-aided molecular design vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	82.	Pushing the boundaries of 3D-QSAR. [electronic resource] by Cramer, Richard D Wendt, Bernd Producer: 20070531 In: Journal of computer-aided molecular design vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	83.	Can we use docking and scoring for hit-to-lead optimization? [electronic resource] by Enyedy, Istvan J Egan, William J Producer: 20080530 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	84.	Quantitative structure-activity relationship analysis of canonical inhibitors of serine proteases. [electronic resource] by Dell'orco, Daniele De Benedetti, Pier Giuseppe Producer: 20080805 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	85.	On the importance of topological descriptors in understanding structure-property relationships. [electronic resource] by Stanton, David T Producer: 20080805 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	86.	Editorial: special issue on "Evaluation of computational methods". [electronic resource] by Stouch, T Producer: 20080530 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	87.	Managing bias in ROC curves. [electronic resource] by Clark, Robert D Webster-Clark, Daniel J Producer: 20080530 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	88.	Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results. [electronic resource] by Sheridan, Robert P McGaughey, Georgia B Cornell, Wendy D Producer: 20080530 In: Journal of computer-aided molecular design vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	89.	Genetic algorithm for the design of molecules with desired properties. [electronic resource] by Kamphausen, Stefan Höltge, Nils Wirsching, Frank Morys-Wortmann, Corinna Riester, Daniel Goetz, Ruediger Thürk, Marcel Schwienhorst, Andreas Producer: 20030827 In: Journal of computer-aided molecular design vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	90.	Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II). [electronic resource] by David, Laurent Amara, Patricia Field, Martin J Major, François Producer: 20030827 In: Journal of computer-aided molecular design vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	91.	New methods in predictive metabolism. [electronic resource] by Boyer, Scott Zamora, Ismael Producer: 20030528 In: Journal of computer-aided molecular design vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	92.	In silico ADME/Tox: why models fail. [electronic resource] by Stouch, Terry R Kenyon, James R Johnson, Stephen R Chen, Xue-Qing Doweyko, Arthur Li, Yi Producer: 20040419 In: Journal of computer-aided molecular design vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	93.	QSAR modeling of beta-lactam binding to human serum proteins. [electronic resource] by Hall, L Mark Hall, Lowell H Kier, Lemont B Producer: 20040419 In: Journal of computer-aided molecular design vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	94.	Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks. [electronic resource] by Patankar, S J Jurs, P C Producer: 20040419 In: Journal of computer-aided molecular design vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	95.	Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression. [electronic resource] by Cedeño, Walter Agrafiotis, Dimitris K Producer: 20040419 In: Journal of computer-aided molecular design vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	96.	A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist. [electronic resource] by Singh, Nidhi Chevé, Gwénaël Ferguson, David M McCurdy, Christopher R Producer: 20070320 In: Journal of computer-aided molecular design vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	97.	Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling. [electronic resource] by Fanelli, Francesca De Benedetti, Pier G Producer: 20070320 In: Journal of computer-aided molecular design vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	98.	Cannabinoid CB1 receptor recognition of endocannabinoids via the lipid bilayer: molecular dynamics simulations of CB1 transmembrane helix 6 and anandamide in a phospholipid bilayer. [electronic resource] by Lynch, Diane L Reggio, Patricia H Producer: 20070320 In: Journal of computer-aided molecular design vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	99.	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. [electronic resource] by Marrero-Ponce, Yovani Torrens, Francisco Alvarado, Ysaias J Rotondo, Richard Producer: 20070307 In: Journal of computer-aided molecular design vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	100.	Lead-like, drug-like or "Pub-like": how different are they? [electronic resource] by Oprea, Tudor I Allu, Tharun Kumar Fara, Dan C Rad, Ramona F Ostopovici, Lili Bologa, Cristian G Producer: 20070531 In: Journal of computer-aided molecular design vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 2533 results.