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	11821.	Computational high-frequency overtone spectra of the water-ammonia complex. [electronic resource] by Sälli, Elina Salmi, Teemu Halonen, Lauri Producer: 20120209 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11822.	Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach. [electronic resource] by Heger, Dominik Nachtigallová, Dana Surman, František Krausko, Ján Magyarová, Beata Brumovský, Miroslav Rubeš, Miroslav Gladich, Ivan Klán, Petr Producer: 20120215 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11823.	NH+-F hydrogen bonding in a fluorinated "proton sponge" derivative: integration of solution, solid-state, gas-phase, and computational studies. [electronic resource] by Scerba, Michael T Leavitt, Christopher M Diener, Matthew E DeBlase, Andrew F Guasco, Timothy L Siegler, Maxime A Bair, Nathaniel Johnson, Mark A Lectka, Thomas Producer: 20120119 In: The Journal of organic chemistry vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11824.	X-ray absorption spectroscopic and computational investigation of a possible S···S interaction in the [Cu3S2]3+ core. [electronic resource] by Sarangi, Ritimukta Yang, Lei Winikoff, Stuart G Gagliardi, Laura Cramer, Christopher J Tolman, William B Solomon, Edward I Producer: 20120213 In: Journal of the American Chemical Society vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11825.	Charge-transfer processes in the assembly of Si(n)O(m) neutral clusters. [electronic resource] by Jadraque, Maria Martin, Margarita Producer: 20120130 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11826.	Theoretical and computational modeling of target-site search kinetics in vitro and in vivo. [electronic resource] by Koslover, Elena F Díaz de la Rosa, Mario A Spakowitz, Andrew J Producer: 20111207 In: Biophysical journal vol. 101 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11827.	Proteomic analysis of an immortalized mouse pancreatic stellate cell line identifies differentially-expressed proteins in activated vs nonproliferating cell states. [electronic resource] by Paulo, Joao A Urrutia, Raul Banks, Peter A Conwell, Darwin L Steen, Hanno Producer: 20111216 In: Journal of proteome research vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11828.	Effects of the position and manner of hydration on the stability of solvated N-methylacetamides and the strength of binding between N-methylacetamide and water clusters: a computational study. [electronic resource] by Xiao, Xiuchan Tan, Ying Zhu, Lijuan Guo, Yanzhi Wen, Zhining Li, Menglong Pu, Xuemei Tian, Anmin Producer: 20120816 In: Journal of molecular modeling vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11829.	Computational synthesis of C₆₀ cyano- and azopolyderivatives. [electronic resource] by Sheka, Elena F Producer: 20120816 In: Journal of molecular modeling vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11830.	Pulsed jet discharge matrix isolation and computational study of bromine atom complexes: Br···BrXCH(2) (X = H, Cl, Br). [electronic resource] by George, Lisa Kalume, Aimable Esselman, Brian McMahon, Robert J Reid, Scott A Producer: 20120103 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11831.	Specific interactions and binding free energies between thermolysin and dipeptides: molecular simulations combined with ab initio molecular orbital and classical vibrational analysis. [electronic resource] by Dedachi, Kenichi Hirakawa, Tatsuya Fujita, Seiya Khan, Mahmud Tareq Hassan Sylte, Ingebrigt Kurita, Noriyuki Producer: 20120130 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11832.	Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins. [electronic resource] by Jo, Sunhwan Song, Kevin C Desaire, Heather MacKerell, Alexander D Im, Wonpil Producer: 20120130 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11833.	Elucidation of the methyl transfer mechanism catalyzed by chalcone O-methyltransferase: a density functional study. [electronic resource] by Cui, Feng-Chao Pan, Xiao-Liang Liu, Wei Liu, Jing-Yao Producer: 20120130 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11834.	Application of the thin-shell formulation to the numerical modeling of Stern layer in biomolecular electrostatics. [electronic resource] by Manzin, Alessandra Bottauscio, Oriano Ansalone, Domenico Patrizio Producer: 20120130 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11835.	Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor. [electronic resource] by Cichero, Elena Ligresti, Alessia Allarà, Marco di Marzo, Vincenzo Lazzati, Zelda D'Ursi, Pasqualina Marabotti, Anna Milanesi, Luciano Spallarossa, Andrea Ranise, Angelo Fossa, Paola Producer: 20120103 In: European journal of medicinal chemistry vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11836.	Synthesis, computational studies and preliminary pharmacological evaluation of 2-[4-(aryl substituted) piperazin-1-yl] N, N-diphenylacetamides as potential antipsychotics. [electronic resource] by Kumar, Sushil Wahi, A K Singh, Ranjit Producer: 20120103 In: European journal of medicinal chemistry vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11837.	Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps. [electronic resource] by Negri, Matthias Recanatini, Maurizio Hartmann, Rolf W Producer: 20120123 In: Journal of computer-aided molecular design vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11838.	Infrared multiple photon dissociation action spectroscopy and computational studies of mass-selected gas-phase fluorescein and 2',7'-dichlorofluorescein ions. [electronic resource] by Yao, Huihui Steill, Jeffrey D Oomens, Jos Jockusch, Rebecca A Producer: 20111212 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11839.	Mapping IgE binding epitopes of major shrimp (Penaeus monodon) allergen with immunoinformatics tools. [electronic resource] by Zheng, Li-Na Lin, Hong Pawar, Ravindra Li, Zhen-Xing Li, Ming-Hua Producer: 20120213 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11840.	Origins of specificity and promiscuity in metabolic networks. [electronic resource] by Carbonell, Pablo Lecointre, Guillaume Faulon, Jean-Loup Producer: 20120221 In: The Journal of biological chemistry vol. 286 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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