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	13261.	Computational and Experimental Evidence of Two Competing Thermal Electrocyclization Pathways for Vinylheptafulvene. [electronic resource] by Frandsen, Benjamin N Skov, Anders B Cacciarini, Martina Brøndsted Nielsen, Mogens Kjaergaard, Henrik G Publication details: Chemistry, an Asian journal Apr 2019 In: Chemistry, an Asian journal vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13262.	An Electron Density Source-Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States [electronic resource] by Gatti, Carlo Macetti, Giovanni Boyd, Russell J Matta, Chérif F Producer: 20190918 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13263.	Benzothiazole analogs as potential anti-TB agents: computational input and molecular dynamics. [electronic resource] by Venugopala, Katharigatta N Khedr, Mohammed A Pillay, Melendhran Nayak, Susanta K Chandrashekharappa, Sandeep Aldhubiab, Bandar E Harsha, Sree Attimard, Mahesh Odhav, Bharti Producer: 20200602 In: Journal of biomolecular structure & dynamics vol. 37 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13264.	A Combined NMR-Computational Study of the Interaction between Influenza Virus Hemagglutinin and Sialic Derivatives from Human and Avian Receptors on the Surface of Transfected Cells. [electronic resource] by Vasile, Francesca Panigada, Maddalena Siccardi, Antonio Potenza, Donatella Tiana, Guido Producer: 20180920 In: International journal of molecular sciences vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13265.	Purification and characterization of a novel GH1 beta-glucosidase from Jeotgalibacillus malaysiensis. [electronic resource] by Liew, Kok Jun Lim, Lily Woo, Hui Ying Chan, Kok-Gan Shamsir, Mohd Shahir Goh, Kian Mau Producer: 20181009 In: International journal of biological macromolecules vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13266.	Estimations of energy of noncovalent bonding from integrals over interatomic zero-flux surfaces: Correlation trends and beyond. [electronic resource] by Romanova, Anna Lyssenko, Konstantin Ananyev, Ivan Publication details: Journal of computational chemistry Aug 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13267.	Force constant decomposition for penta-coordinated XH [electronic resource] by Sakata, Ken Publication details: Journal of computational chemistry Jul 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13268.	Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam. [electronic resource] by Lizana, Ignacio Delgado, Eduardo J Producer: 20190918 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13269.	An open library of relativistic core electron density function for the QTAIM analysis with pseudopotentials. [electronic resource] by Zou, Wenli Cai, Ziyu Wang, Jiankang Xin, Kunyu Publication details: Journal of computational chemistry Aug 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13270.	Performance evaluation of the zero-multipole summation method in modern molecular dynamics software. [electronic resource] by Sakuraba, Shun Fukuda, Ikuo Producer: 20190909 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13271.	A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase. [electronic resource] by Freedman, Holly Winter, Philip Tuszynski, Jack Tyrrell, D Lorne Houghton, Michael Producer: 20190122 In: The Journal of biological chemistry vol. 293 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13272.	Molecular and computational approaches to understand resistance of New Delhi metallo β-lactamase variants (NDM-1, NDM-4, NDM-5, NDM-6, NDM-7)-producing strains against carbapenems. [electronic resource] by Ali, Abid Gupta, Divya Srivastava, Gaurava Sharma, Ashok Khan, Asad U Producer: 20200617 In: Journal of biomolecular structure & dynamics vol. 37 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13273.	Revised mechanism of carboxylation of ribulose-1,5-biphosphate by rubisco from large scale quantum chemical calculations. [electronic resource] by Cummins, Peter L Kannappan, Babu Gready, Jill E Producer: 20190909 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13274.	Beta-Barrel Detection for Medium Resolution Cryo-Electron Microscopy Density Maps Using Genetic Algorithms and Ray Tracing. [electronic resource] by Ng, Albert Si, Dong Producer: 20190618 In: Journal of computational biology : a journal of computational molecular cell biology vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13275.	A Computational Study Investigating the Energetics and Kinetics of the HNCO + (CH [electronic resource] by Parandaman, Arathala Tangtartharakul, Chanin B Kumar, Manoj Francisco, Joseph S Sinha, Amitabha 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)
	13276.	Heterocyclic pharmacochemistry of new rhinovirus antiviral agents: A combined computational and experimental study. [electronic resource] by Da Costa, Laurène Scheers, Els Coluccia, Antonio Rosetti, Alessia Roche, Manon Neyts, Johan Terme, Thierry Cirilli, Roberto Mirabelli, Carmen Silvestri, Romano Vanelle, Patrice Producer: 20171201 In: European journal of medicinal chemistry vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13277.	Enhanced active extracellular polysaccharide production from Ganoderma formosanum using computational modeling. [electronic resource] by Hsu, Kai-Di Wu, Shu-Pei Lin, Shin-Ping Lum, Chi-Chin Cheng, Kuan-Chen Producer: 20180215 In: Journal of food and drug analysis vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13278.	Modulation of interaction of mutant TP53 and wild type BRCA1 by alkaloids: a computational approach towards targeting protein-protein interaction as a futuristic therapeutic intervention strategy for breast cancer impediment. [electronic resource] by Tiwari, Sameeksha Awasthi, Manika Singh, Swati Pandey, Veda P Dwivedi, Upendra N Producer: 20190910 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)
	13279.	Parameterization of the GPR119 Receptor Agonist AR231453. [electronic resource] by Hamilton, John Kotsikorou, Evangelia Producer: 20190918 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13280.	σ-holes and π-holes: Similarities and differences. [electronic resource] by Politzer, Peter Murray, Jane S Producer: 20190909 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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