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	12821.	AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations. [electronic resource] by Ramadoss, Vijayaraj Dehez, François Chipot, Christophe Producer: 20170811 In: Journal of chemical information and modeling vol. 56 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12822.	A Trojan-Horse Peptide-Carboxymethyl-Cytidine Antibiotic from Bacillus amyloliquefaciens. [electronic resource] by Serebryakova, Marina Tsibulskaya, Darya Mokina, Olga Kulikovsky, Alexey Nautiyal, Manesh Van Aerschot, Arthur Severinov, Konstantin Dubiley, Svetlana Producer: 20180517 In: Journal of the American Chemical Society vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12823.	Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. [electronic resource] by Nocentini, Alessio Ferraroni, Marta Carta, Fabrizio Ceruso, Mariangela Gratteri, Paola Lanzi, Cecilia Masini, Emanuela Supuran, Claudiu T Producer: 20170615 In: Journal of medicinal chemistry vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12824.	Studies to reveal the nature of interactions between catalase and curcumin using computational methods and optical techniques. [electronic resource] by Mofidi Najjar, Fayezeh Ghadari, Rahim Yousefi, Reza Safari, Naser Sheikhhasani, Vahid Sheibani, Nader Moosavi-Movahedi, Ali Akbar Producer: 20170411 In: International journal of biological macromolecules vol. 95 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12825.	A Treatise to Computational Approaches Towards Prediction of Membrane Protein and Its Subtypes. [electronic resource] by Butt, Ahmad Hassan Rasool, Nouman Khan, Yaser Daanial Producer: 20170807 In: The Journal of membrane biology vol. 250 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12826.	Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. [electronic resource] by Carvalho-Silva, Valter H Aquilanti, Vincenzo de Oliveira, Heibbe C B Mundim, Kleber C Producer: 20170822 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)
	12827.	Electron localization function from density components. [electronic resource] by Pilmé, Julien Producer: 20170502 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)
	12828.	How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder. [electronic resource] by Karton, Amir 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)
	12829.	New potential inhibitors of mTOR: a computational investigation integrating molecular docking, virtual screening and molecular dynamics simulation. [electronic resource] by Kist, Roger Caceres, Rafael Andrade Producer: 20180720 In: Journal of biomolecular structure & dynamics vol. 35 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12830.	Computational Dehydration of Crystalline Hydrates Using Molecular Dynamics Simulations. [electronic resource] by Larsen, Anders S Rantanen, Jukka Johansson, Kristoffer E Producer: 20171212 In: Journal of pharmaceutical sciences vol. 106 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12831.	A Graph Approach to Mining Biological Patterns in the Binding Interfaces. [electronic resource] by Cheng, Wen Yan, Changhui Producer: 20180108 In: Journal of computational biology : a journal of computational molecular cell biology vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12832.	Prediction of Protein-Protein Interactions by Evidence Combining Methods. [electronic resource] by Chang, Ji-Wei Zhou, Yan-Qing Ul Qamar, Muhammad Tahir Chen, Ling-Ling Ding, Yu-Duan Producer: 20170404 In: International journal of molecular sciences vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12833.	SCOPe: Manual Curation and Artifact Removal in the Structural Classification of Proteins - extended Database. [electronic resource] by Chandonia, John-Marc Fox, Naomi K Brenner, Steven E Producer: 20170731 In: Journal of molecular biology vol. 429 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12834.	Anomerization reaction of bare and microhydrated d-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal. [electronic resource] by Szczepaniak, Marek Moc, Jerzy 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)
	12835.	Insight into the structure and stability of Tc and Re DMSA complexes: A computational study. [electronic resource] by Hernández-Valdés, Daniel Blanco-González, Alejandro García-Fleitas, Ariel Rodríguez-Riera, Zalua Meola, Giuseppe Alberto, Roger Jáuregui-Haza, Ulises Producer: 20180209 In: Journal of molecular graphics & modelling vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12836.	Identification of natural allosteric inhibitor for Akt1 protein through computational approaches and in vitro evaluation. [electronic resource] by Pragna Lakshmi, T Kumar, Amit Vijaykumar, Veena Natarajan, Sakthivel Krishna, Ramadas Producer: 20170411 In: International journal of biological macromolecules vol. 96 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12837.	Intensification: A Resource for Amplifying Population-Genetic Signals with Protein Repeats. [electronic resource] by Chen, Jieming Wang, Bo Regan, Lynne Gerstein, Mark Producer: 20170731 In: Journal of molecular biology vol. 429 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12838.	Glucose-6-Phosphate Dehydrogenase: Update and Analysis of New Mutations around the World. [electronic resource] by Gómez-Manzo, Saúl Marcial-Quino, Jaime Vanoye-Carlo, America Serrano-Posada, Hugo Ortega-Cuellar, Daniel González-Valdez, Abigail Castillo-Rodríguez, Rosa Angélica Hernández-Ochoa, Beatriz Sierra-Palacios, Edgar Rodríguez-Bustamante, Eduardo Arreguin-Espinosa, Roberto Producer: 20170508 In: International journal of molecular sciences vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12839.	Analysis of Loops that Mediate Protein-Protein Interactions and Translation into Submicromolar Inhibitors. [electronic resource] by Siegert, Timothy R Bird, Michael J Makwana, Kamlesh M Kritzer, Joshua A Producer: 20180515 In: Journal of the American Chemical Society vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12840.	Antimicrobial Protein Candidates from the Thermophilic Geobacillus sp. Strain ZGt-1: Production, Proteomics, and Bioinformatics Analysis. [electronic resource] by Alkhalili, Rawana N Bernfur, Katja Dishisha, Tarek Mamo, Gashaw Schelin, Jenny Canbäck, Björn Emanuelsson, Cecilia Hatti-Kaul, Rajni Producer: 20170417 In: International journal of molecular sciences vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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