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	12701.	Proteomic analysis of lysine succinylation of the human pathogen Histoplasma capsulatum. [electronic resource] by Xie, Longxiang Li, Juan Deng, Wanyan Yu, Zhaoxiao Fang, Wenjie Chen, Min Liao, Wanqing Xie, Jianping Pan, Weihua Producer: 20171206 In: Journal of proteomics vol. 154 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12702.	Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study. [electronic resource] by Piou, Tiffany Romanov-Michailidis, Fedor Romanova-Michaelides, Maria Jackson, Kelvin E Semakul, Natthawat Taggart, Trevor D Newell, Brian S Rithner, Christopher D Paton, Robert S Rovis, Tomislav Producer: 20180530 In: Journal of the American Chemical Society vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12703.	Computational study for the circular redox reaction of N [electronic resource] by Anafcheh, Maryam Naderi, Fereshteh Khodadadi, Zahra Ektefa, Fatemeh Ghafouri, Reza Zahedi, Mansour Producer: 20180221 In: Journal of molecular graphics & modelling vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12704.	Computational Approach to Evaluation of Optical Properties of Membrane Probes. [electronic resource] by Nåbo, Lina J List, Nanna Holmgaard Steinmann, Casper Kongsted, Jacob Producer: 20180409 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12705.	Three-body expansion of the fragment molecular orbital method combined with density-functional tight-binding. [electronic resource] by Nishimoto, Yoshio Fedorov, Dmitri G Producer: 20181126 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12706.	Mechanistic insights on DBU catalyzed β-amination of nbs to chalcone driving by water: Multiple roles of water. [electronic resource] by Yuan, Haiyan Zhang, Jingping Producer: 20181126 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12707.	Antimicrobials Inspired by Nonribosomal Peptide Synthetase Gene Clusters. [electronic resource] by Vila-Farres, Xavier Chu, John Inoyama, Daigo Ternei, Melinda A Lemetre, Christophe Cohen, Louis J Cho, Wooyoung Reddy, Boojala Vijay B Zebroski, Henry A Freundlich, Joel S Perlin, David S Brady, Sean F Producer: 20180604 In: Journal of the American Chemical Society vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12708.	Characterization of surface binding sites in glycoside hydrolases: A computational study. [electronic resource] by Samaei-Daryan, Samaneh Goliaei, Bahram Ebrahim-Habibi, Azadeh Producer: 20180507 In: Journal of molecular recognition : JMR vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12709.	A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene. [electronic resource] by Jaraíz, Martín Enríquez, Lourdes Pinacho, Ruth Rubio, José E Lesarri, Alberto López-Pérez, José L Producer: 20180528 In: The Journal of organic chemistry vol. 82 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12710.	Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: A Combined Computational and Experimental Study. [electronic resource] by Xu, Yuan Li, Liang Wang, Yulan Xing, Jing Zhou, Lei Zhong, Dafang Luo, Xiaomin Jiang, Hualiang Chen, Kaixian Zheng, Mingyue Deng, Pan Chen, Xiaoyan Producer: 20170424 In: Journal of medicinal chemistry vol. 60 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12711.	Aqueous Boron Removal by Using Electrospun Poly(vinyl alcohol) (PVA) Mats: A Combined Study of IR/Raman Spectroscopy and Computational Chemistry. [electronic resource] by Lee, Kwan Sik Eom, Ki Heon Lim, Jun-Heok Ryu, Hyunwook Kim, Suhan Lee, Dong-Kyu Won, Yong Sun Producer: 20180305 In: The journal of physical chemistry. A vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12712.	Exome sequencing identified a novel SMAD2 mutation in a Chinese family with early onset aortic aneurysms. [electronic resource] by Zhang, Wenwen Zeng, Qingfu Xu, Yingqi Ying, Houqun Zhou, Wei Cao, Qing Zhou, Weimin Producer: 20180110 In: Clinica chimica acta; international journal of clinical chemistry vol. 468 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12713.	Computing Odor Images. [electronic resource] by Rochelle, Madeleine M Prévost, Géraldine Julie Acree, Terry E Producer: 20180327 In: Journal of agricultural and food chemistry vol. 66 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12714.	A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety. [electronic resource] by Magarkar, Aniket Róg, Tomasz Bunker, Alex Producer: 20171229 In: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences vol. 103 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12715.	Conserved charged amino acids are key determinants for fatty acid binding proteins (FABPs)-membrane interactions. A multi-methodological computational approach. [electronic resource] by Zamarreño, Fernando Giorgetti, Alejandro Amundarain, María Julia Viso, Juan Francisco Córsico, Betina Costabel, Marcelo D Producer: 20190117 In: Journal of biomolecular structure & dynamics vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12716.	Identification of C3b-Binding Small-Molecule Complement Inhibitors Using Cheminformatics. [electronic resource] by Garcia, Brandon L Skaff, D Andrew Chatterjee, Arindam Hanning, Anders Walker, John K Wyckoff, Gerald J Geisbrecht, Brian V Producer: 20170501 In: Journal of immunology (Baltimore, Md. : 1950) vol. 198 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12717.	Benzimidazole-based derivatives as privileged scaffold developed for the treatment of the RSV infection: a computational study exploring the potency and cytotoxicity profiles. [electronic resource] by Cichero, Elena Tonelli, Michele Novelli, Federica Tasso, Bruno Delogu, Ilenia Loddo, Roberta Bruno, Olga Fossa, Paola Producer: 20170317 In: Journal of enzyme inhibition and medicinal chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12718.	Quantitative phenotypic and network analysis of 1q44 microdeletion for microcephaly. [electronic resource] by Raun, Nicholas Mailo, Janette Spinelli, Egidio He, Xu McAvena, Sarah Brand, Logan O'Sullivan, Julia Andersen, John Richer, Lawrence Tang-Wai, Richard Bolduc, Francois V Producer: 20171030 In: American journal of medical genetics. Part A vol. 173 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12719.	On the applicability of density functional theory to manganese-based complexes with catalytic activity toward water oxidation. [electronic resource] by Gámez, José A Hölscher, Markus Leitner, Walter Publication details: Journal of computational chemistry 07 2017 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12720.	Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations. [electronic resource] by Chéron, Nicolas Shakhnovich, Eugene I Producer: 20190521 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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