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	12721.	Computational insights into the S [electronic resource] by Algarra, Andrés G Publication details: Journal of computational chemistry 08 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)
	12722.	Lipidomics to investigate the pharmacologic mechanisms of ginkgo folium in the hyperuricemic rat model. [electronic resource] by Zhang, Shuli Zhuang, Jingcong Yue, Guijuan Wang, Yiping Liu, Mingyu Zhang, Bing Du, Zhenxia Ma, Qun Producer: 20170915 In: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences vol. 1060 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12723.	Protein secondary structure prediction: A survey of the state of the art. [electronic resource] by Jiang, Qian Jin, Xin Lee, Shin-Jye Yao, Shaowen Producer: 20180430 In: Journal of molecular graphics & modelling vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12724.	Charge transfer excitations in TDDFT: A ghost-hunter index. [electronic resource] by Campetella, Marco Maschietto, Federica Frisch, Mike J Scalmani, Giovanni Ciofini, Ilaria Adamo, Carlo Publication details: Journal of computational chemistry 09 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)
	12725.	An interaction energy driven biased sampling technique: A faster route to ionization spectra in condensed phase. [electronic resource] by Bose, Samik Ghosh, Debashree Publication details: Journal of computational chemistry 10 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)
	12726.	Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules. [electronic resource] by Gruden, Maja Andjeklović, Ljubica Jissy, Akkarapattiakal Kuriappan Stepanović, Stepan Zlatar, Matija Cui, Qiang Elstner, Marcus Publication details: Journal of computational chemistry 09 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)
	12727.	CDK9 and SPT5 proteins are specifically required for expression of herpes simplex virus 1 replication-dependent late genes. [electronic resource] by Zhao, Zhiyuan Tang, Ka-Wei Muylaert, Isabella Samuelsson, Tore Elias, Per Producer: 20170927 In: The Journal of biological chemistry vol. 292 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12728.	Protonation States of Homocitrate and Nearby Residues in Nitrogenase Studied by Computational Methods and Quantum Refinement. [electronic resource] by Cao, Lili Caldararu, Octav Ryde, Ulf Producer: 20180509 In: The journal of physical chemistry. B vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12729.	A novel HPV prophylactic peptide vaccine, designed by immunoinformatics and structural vaccinology approaches. [electronic resource] by Negahdaripour, Manica Eslami, Mahboobeh Nezafat, Navid Hajighahramani, Nasim Ghoshoon, Mohammad Bagher Shoolian, Eskandar Dehshahri, Ali Erfani, Nasrollah Morowvat, Mohammad Hossein Ghasemi, Younes Producer: 20180201 In: Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12730.	Early days of quantum crystallography: A personal account. [electronic resource] by Tsirelson, Vladimir 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)
	12731.	Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional. [electronic resource] by Chen, Jun Su, Neil Qiang Xu, Xin Zhang, Dong H Publication details: Journal of computational chemistry 10 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)
	12732.	Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors. [electronic resource] by van Dijk, Marc Ter Laak, Antonius M Wichard, Jörg D Capoferri, Luigi Vermeulen, Nico P E Geerke, Daan P Producer: 20171010 In: Journal of chemical information and modeling vol. 57 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12733.	Generalization of the Schrödinger Theory of Electrons. [electronic resource] by Sahni, Viraht 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)
	12734.	Partial atomic multipoles for internally consistent microelectrostatic calculations. [electronic resource] by Snamina, Mateusz Mazur, Grzegorz Petelenz, Piotr Publication details: Journal of computational chemistry 10 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)
	12735.	Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies. [electronic resource] by Shukla, Rohit Shukla, Harish Kalita, Parismita Sonkar, Amit Pandey, Tripti Singh, Dev Bukhsh Kumar, Awanish Tripathi, Timir Producer: 20190207 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)
	12736.	Functional and phylogenetic evidence of a bacterial origin for the first enzyme in sphingolipid biosynthesis in a phylum of eukaryotic protozoan parasites. [electronic resource] by Mina, John G Thye, Julie K Alqaisi, Amjed Q I Bird, Louise E Dods, Robert H Grøftehauge, Morten K Mosely, Jackie A Pratt, Steven Shams-Eldin, Hosam Schwarz, Ralph T Pohl, Ehmke Denny, Paul W Producer: 20170808 In: The Journal of biological chemistry vol. 292 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12737.	Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. [electronic resource] by Lorenz, Robin Moon, Eui-Whan Kim, Jeong Joo Schmidt, Sven H Sankaran, Banumathi Pavlidis, Ioannis V Kim, Choel Herberg, Friedrich W Producer: 20170726 In: The Biochemical journal vol. 474 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12738.	Gas-phase fragmentation of protonated piplartine and its fungal metabolites using tandem mass spectrometry and computational chemistry. [electronic resource] by da Silva-Junior, E A Paludo, C R Gouvea, D R Kato, M J Furtado, N A J C Lopes, N P Vessecchi, R Pupo, M T Producer: 20180426 In: Journal of mass spectrometry : JMS vol. 52 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12739.	Biochemical and Computational Insights on a Novel Acid-Resistant and Thermal-Stable Glucose 1-Dehydrogenase. [electronic resource] by Ding, Haitao Gao, Fen Yu, Yong Chen, Bo Producer: 20180326 In: International journal of molecular sciences vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12740.	A quantitative analysis of light-driven charge transfer processes using voronoi partitioning of time dependent DFT-derived electron densities. [electronic resource] by Rombouts, Jeroen A Ehlers, Andreas W Lammertsma, Koop 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)

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