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	13161.	Computational Study on Structure and Aggregation Pathway of Aβ [electronic resource] by Lee, MinJun Yoon, Jeseong Shin, Seokmin Producer: 20200812 In: The journal of physical chemistry. B vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13162.	Plasma metabolites Xanthine, 4-Pyridoxate, and d-glutamic acid as novel potential biomarkers for pulmonary tuberculosis. [electronic resource] by Huang, Huai Shi, Li-Ying Wei, Li-Liang Han, Yu-Shuai Yi, Wen-Jing Pan, Zhi-Wen Jiang, Ting-Ting Chen, Jing Tu, Hui-Hui Li, Zhi-Bin Hu, Yu-Ting Li, Ji-Cheng Producer: 20200219 In: Clinica chimica acta; international journal of clinical chemistry vol. 498 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13163.	Inhibition of [electronic resource] by Mohanty, Partha Sarathi Sharma, Sandeep Naaz, Farah Kumar, Dilip Raikwar, Archana Patil, Shripad A Producer: 20210426 In: Journal of computational biology : a journal of computational molecular cell biology vol. 27 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13164.	Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc [electronic resource] by Zhao, Yao-Xiao Li, Meng-Yang Xiong, Yi-Ming Rahmani, Shirin Yuan, Kun Zhao, Rui-Sheng Ehara, Masahiro Nagase, Shigeru Zhao, Xiang Publication details: Journal of computational chemistry Dec 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13165.	Solvation Free Energy Calculations: The Combination between the Implicitly Polarized Fixed-charge Model and the Reference Potential Strategy. [electronic resource] by Jia, Xiangyu Publication details: Journal of computational chemistry Dec 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13166.	Predicting Protein-Protein Interfaces that Bind Intrinsically Disordered Protein Regions. [electronic resource] by Wong, Eric T C Gsponer, Jörg Producer: 20200611 In: Journal of molecular biology vol. 431 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13167.	Molecular characterization and expression pattern analysis of a novel stress-responsive gene ' [electronic resource] by Samo, Naseem Imran, Muhammad Shanglian, Hu Xuegang, Luo Cao, Ying Yan, Huang Producer: 20191206 In: Journal of genetics vol. 98 Availability: No items available. Save to lists Add to cart (remove)
	13168.	Flavonol biosynthesis by nonheme iron dioxygenases: A computational study into the structure and mechanism. [electronic resource] by Zeb, Neelam Rashid, Muhammad H Mubarak, M Qadri E Ghafoor, Sidra de Visser, Sam P Producer: 20200522 In: Journal of inorganic biochemistry vol. 198 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13169.	NBO 7.0: New vistas in localized and delocalized chemical bonding theory. [electronic resource] by Glendening, Eric D Landis, Clark R Weinhold, Frank Producer: 20200515 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13170.	GalaxyTongDock: Symmetric and asymmetric ab initio protein-protein docking web server with improved energy parameters. [electronic resource] by Park, Taeyong Baek, Minkyung Lee, Hasup Seok, Chaok Producer: 20200811 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13171.	autoCAS: A Program for Fully Automated Multiconfigurational Calculations. [electronic resource] by Stein, Christopher J Reiher, Markus Publication details: Journal of computational chemistry Sep 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13172.	The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution. [electronic resource] by Cammi, Roberto Publication details: Journal of computational chemistry Oct 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13173.	DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes. [electronic resource] by Choudhary, VineetKumar Bhatt, ArvindKumar Dash, Dibyajit Sharma, Neeraj Publication details: Journal of computational chemistry Oct 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13174.	Formation of Quinone Methides by Ultrafast Photodeamination: A Spectroscopic and Computational Study. [electronic resource] by Ma, Jiani Šekutor, Marina Škalamera, Đani Basarić, Nikola Phillips, David Lee Producer: 20200406 In: The Journal of organic chemistry vol. 84 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13175.	Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian-based constant potential molecular dynamics simulation study. [electronic resource] by Inagaki, Taichi Nagaoka, Masataka Publication details: Journal of computational chemistry Sep 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13176.	Superhalogen and Superacid. [electronic resource] by Kulsha, Andrey V Sharapa, Dmitry I Publication details: Journal of computational chemistry Oct 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13177.	Computational aided mechanistic understanding of Camellia sinensis bioactive compounds against co-chaperone p23 as potential anticancer agent. [electronic resource] by Bharadwaj, Shiv Lee, Kyung Eun Dwivedi, Vivek Dhar Yadava, Umesh Kang, Sang Gu Producer: 20200908 In: Journal of cellular biochemistry vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13178.	Improving efficiency of semi-direct møller-plesset second-order perturbation methods through oversubscription on multiple nodes. [electronic resource] by Fought, Ellie L Sundriyal, Vaibhav Sosonkina, Masha Windus, Theresa L Publication details: Journal of computational chemistry Sep 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13179.	The computational and experimental studies on a 1, 2, 3-triazole compound and its special binding to three kinds of blood proteins. [electronic resource] by Li, Jianling Feng, Huajie Liu, Rongqiang Ding, Guohua Si, Hongzong He, Wenying Sun, Zhenfan Producer: 20210101 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)
	13180.	Single-Molecule Imaging and Computational Microscopy Approaches Clarify the Mechanism of the Dimerization and Membrane Interactions of Green Fluorescent Protein. [electronic resource] by Wang, Xiaohua Song, Kai Li, Yang Tang, Ling Deng, Xin Producer: 20190712 In: International journal of molecular sciences vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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