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	881.	Structure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation. [electronic resource] by Bharadwaj, Shiv Rao, Akhilesh Kumar Dwivedi, Vivek Dhar Mishra, Sarad Kumar Yadava, Umesh Producer: 20210702 In: Journal of biomolecular structure & dynamics vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	882.	Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data. [electronic resource] by Garrido, Nuno M Jorge, Miguel Queimada, António J Gomes, José R B Economou, Ioannis G Macedo, Eugénia A Producer: 20120119 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)
	883.	A comparison of the solvation thermodynamics of amino acid analogues in water, 1-octanol and 1-n-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids by molecular simulation. [electronic resource] by Paluch, Andrew S Vitter, Cameron A Shah, Jindal K Maginn, Edward J Producer: 20130424 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	884.	Corrigendum to "Structural and biochemical characterization of two heme binding sites on α1-microglobulin using site directed mutagenesis and molecular simulation" [BBAPAP 1864/1 (2016) Page 29 to 41]. [electronic resource] by Rutardottir, Sigurbjörg Karnaukhova, Elena Nantasenamat, Chanin Songtawee, Napat Prachayasittikul, Virapong Rajabi, Mohsen Rosenlöf, Lena Wester Alayash, Abdu I Åkerström, Bo Publication details: Biochimica et biophysica acta. Proteins and proteomics Jun 2020 In: Biochimica et biophysica acta. Proteins and proteomics vol. 1868 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	885.	Molecular simulation analysis of the structure complex of C2 domains of DKK family members and β-propeller domains of LRP5/6: explaining why DKK3 does not bind to LRP5/6. [electronic resource] by Fujii, Yasuyuki Hoshino, Tyuji Kumon, Hiromi Producer: 20141209 In: Acta medica Okayama vol. 68 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	886.	Corrigendum to "Research of the substituent effect on non-linear optical properties of bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene) hydrazine (BOPHY) derivatives: Molecular Simulation Analyses" [Spectrochim. Acta A Mol. Biomol. Spectrosc. 212 (2019) 380-387]. [electronic resource] by Sayin, Koray Publication details: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 04 2019 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 213 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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