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	521.	Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors. [electronic resource] by Morales-Camilo, Nicole Salas, Cristian O Sanhueza, Claudia Espinosa-Bustos, Christian Sepúlveda-Boza, Silvia Reyes-Parada, Miguel Gonzalez-Nilo, Fernando Caroli-Rezende, Marcos Fierro, Angélica Producer: 20160204 In: Chemical biology & drug design vol. 85 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	522.	Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests. [electronic resource] by Moučka, Filip Nezbeda, Ivo Smith, William R Producer: 20140425 In: The Journal of chemical physics vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	523.	Identification and characterization of a glycosaminoglycan binding site on interleukin-10 via molecular simulation methods. [electronic resource] by Gehrcke, Jan-Philip Pisabarro, M Teresa Producer: 20161007 In: Journal of molecular graphics & modelling vol. 62 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	524.	Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. [electronic resource] by Schappals, Michael Mecklenfeld, Andreas Kröger, Leif Botan, Vitalie Köster, Andreas Stephan, Simon García, Edder J Rutkai, Gabor Raabe, Gabriele Klein, Peter Leonhard, Kai Glass, Colin W Lenhard, Johannes Vrabec, Jadran Hasse, Hans Producer: 20180404 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)
	525.	Fluorescence spectroscopy and molecular simulation on the interaction of caffeic acid with human serum albumin. [electronic resource] by Xiang, Yuhong Duan, Lili Ma, Qiang Lv, Zizheng Ruohua, Zhu Zhang, Zhuoyong Producer: 20170515 In: Luminescence : the journal of biological and chemical luminescence vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	526.	Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study. [electronic resource] by Xie, Tianli Yu, Jie Fu, Weitao Wang, Zhe Xu, Lei Chang, Shan Wang, Ercheng Zhu, Feng Zeng, Su Kang, Yu Hou, Tingjun Producer: 20190813 In: Physical chemistry chemical physics : PCCP vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	527.	Can Arginine Inhibit Insulin Aggregation? A Combined Protein Crystallography, Capillary Electrophoresis, and Molecular Simulation Study. [electronic resource] by Březina, Kryštof Duboué-Dijon, Elise Palivec, Vladimír Jiráček, Jiří Křížek, Tomáš Viola, Cristina M Ganderton, Timothy R Brzozowski, Andrzej M Jungwirth, Pavel Producer: 20191011 In: The journal of physical chemistry. B vol. 122 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	528.	Molecular Simulation Elaborating the Mechanism of 1β-Hydroxy Alantolactone Inhibiting Ubiquitin-Conjugating Enzyme UbcH5s. [electronic resource] by Xu, Youdong Meng, Xianli Producer: 20201112 In: Scientific reports vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	529.	What stabilizes the 3(14)-helix in beta3-peptides? A conformational analysis using molecular simulation. [electronic resource] by Keller, Bettina Gattin, Zrinka van Gunsteren, Wilfred F Producer: 20100713 In: Proteins vol. 78 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	530.	Retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment. [electronic resource] by Sun, Li Siepmann, J Ilja Klotz, Wendy L Schure, Mark R Producer: 20061101 In: Journal of chromatography. A vol. 1126 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	531.	Molecular simulation of RMM: ordered mesoporous SBA-15 type material having microporous ZSM-5 walls. [electronic resource] by Sonwane, C G Li, Q Producer: 20070912 In: The journal of physical chemistry. B vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	532.	Molecular simulation of the binary mixture of 1-1-1-2-tetrafluoroethane and carbon dioxide. [electronic resource] by Do, Hainam Wheatley, Richard J Hirst, Jonathan D Producer: 20111208 In: Physical chemistry chemical physics : PCCP vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	533.	Pentacycloundecane-diol-based HIV-1 protease inhibitors: biological screening, 2D NMR, and molecular simulation studies. [electronic resource] by Honarparvar, Bahareh Makatini, Maya M Pawar, Sachin A Petzold, Katja Soliman, Mahmoud E S Arvidsson, Per I Sayed, Yasien Govender, Thavendran Maguire, Glenn E M Kruger, Hendrik G Producer: 20120928 In: ChemMedChem vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	534.	From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine. [electronic resource] by Wright, David W Wan, Shunzhou Shublaq, Nour Zasada, Stefan J Coveney, Peter V Producer: 20130213 In: Wiley interdisciplinary reviews. Systems biology and medicine vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	535.	Thermotropic luminescent clustomesogen showing a nematic phase: a combination of experimental and molecular simulation studies. [electronic resource] by Cortes, Maria Amela Dorson, Frederick Prévôt, Marianne Ghoufi, Aziz Fontaine, Bruno Goujon, Florent Gautier, Régis Cîrcu, Viorel Mériadec, Cristelle Artzner, Franck Folliot, Hervé Cordier, Stéphane Molard, Yann Producer: 20150513 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	536.	A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene interface. [electronic resource] by Javan Nikkhah, Sousa Moghbeli, Mohammad Reza Hashemianzadeh, Seyed Majid Producer: 20160112 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	537.	Sample preparation affects the nematic-isotropic transition in liquid crystal elastomers: insights from molecular simulation. [electronic resource] by Skačej, Gregor Producer: 20180730 In: Soft matter vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	538.	A combined experimental and molecular simulation study of factors influencing interaction of quinoa proteins-carrageenan. [electronic resource] by Montellano Duran, Natalia Spelzini, Darío Wayllace, Natael Boeris, Valeria Barroso da Silva, Fernando L Producer: 20180726 In: International journal of biological macromolecules vol. 107 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	539.	Molecular Simulation Study of Gas Solubility and Diffusion in a Polymer-Boron Nitride Nanotube Composite. [electronic resource] by Wang, Congyue Jagirdar, Preeti Naserifar, Saber Sahimi, Muhammad Producer: 20160708 In: The journal of physical chemistry. B vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	540.	Spermine as a possible endogenous allosteric activator of carboxypeptidase A: multispectroscopic and molecular simulation studies. [electronic resource] by Mohammadi, Mozhgan Shareghi, Behzad Akbar Saboury, Ali Farhadian, Sadegh Producer: 20201224 In: Journal of biomolecular structure & dynamics vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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