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	1.	An Updated Test of AMBER Force Fields and Implicit Solvent Models in Predicting the Secondary Structure of Helical, β-Hairpin, and Intrinsically Disordered Peptides. [electronic resource] by Maffucci, Irene Contini, Alessandro Producer: 20161026 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities. [electronic resource] by Maffucci, Irene Contini, Alessandro Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Rescoring Virtual Screening Results with the MM-PBSA Methods: Beware of Internal Dielectric Constants. [electronic resource] by Hu, Xiao Contini, Alessandro Producer: 20200813 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA Method. [electronic resource] by Maffucci, Irene Contini, Alessandro Producer: 20170801 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)
	5.	Editorial: Folded Synthetic Peptides for Biomedical Applications. [electronic resource] by Eichler, Jutta Contini, Alessandro Publication details: Frontiers in chemistry 2019 In: Frontiers in chemistry vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Molecular dynamic simulation of mGluR5 amino terminal domain: essential dynamics analysis captures the agonist or antagonist behaviour of ligands. [electronic resource] by Casoni, Alessandro Clerici, Francesca Contini, Alessandro Producer: 20130910 In: Journal of molecular graphics & modelling vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based Peptides. [electronic resource] by Maffucci, Irene Clayden, Jonathan Contini, Alessandro Producer: 20160707 In: The journal of physical chemistry. B vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations. [electronic resource] by Hu, Xiao Maffucci, Irene Contini, Alessandro Producer: 20200127 In: Current medicinal chemistry vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Tautomeric equilibria of [1]benzopyrano[3,4-d]imidazol-4(3H)-ones, a theoretical and NMR study. [electronic resource] by Contini, Alessandro Nava, Donatella Trimarco, Pasqualina Producer: 20060726 In: The Journal of organic chemistry vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings. [electronic resource] by Maffucci, Irene Hu, Xiao Fumagalli, Valentina Contini, Alessandro Publication details: Frontiers in chemistry 2018 In: Frontiers in chemistry vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Mechanism of stabilization of helix secondary structure by constrained Cα-tetrasubstituted α-amino acids. [electronic resource] by Maffucci, Irene Pellegrino, Sara Clayden, Jonathan Contini, Alessandro Producer: 20160307 In: The journal of physical chemistry. B vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Role of small GTPase protein Rac1 in cardiovascular diseases: development of new selective pharmacological inhibitors. [electronic resource] by Ferri, Nicola Contini, Alessandro Bernini, Sergio Kevin Corsini, Alberto Producer: 20140623 In: Journal of cardiovascular pharmacology vol. 62 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	[2 + 4] and [4 + 2] cycloadditions of o-thioquinones with 1,3-dienes: a computational study. [electronic resource] by Contini, Alessandro Leone, Samantha Menichetti, Stefano Viglianisi, Caterina Trimarco, Pasqualina Producer: 20070614 In: The Journal of organic chemistry vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Virtual screening approach for the identification of new Rac1 inhibitors. [electronic resource] by Ferri, Nicola Corsini, Alberto Bottino, Paolo Clerici, Francesca Contini, Alessandro Producer: 20090825 In: Journal of medicinal chemistry vol. 52 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Turning REST/NRSF dysfunction in Huntington's disease into a pharmaceutical target. [electronic resource] by Rigamonti, Dorotea Mutti, Cesare Zuccato, Chiara Cattaneo, Elena Contini, Alessandro Producer: 20100309 In: Current pharmaceutical design vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Expedient chemical synthesis of 75mer DNA binding domain of MafA: an insight on its binding to insulin enhancer. [electronic resource] by Pellegrino, Sara Annoni, Chiara Contini, Alessandro Clerici, Francesca Gelmi, Maria Luisa Producer: 20130304 In: Amino acids vol. 43 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Molecular dynamics and tubulin polymerization kinetics study on 1,14-heterofused taxanes: evidence of stabilization of the tubulin head-to-tail dimer-dimer interaction. [electronic resource] by Contini, Alessandro Cappelletti, Graziella Cartelli, Daniele Fontana, Gabriele Gelmi, Maria Luisa Producer: 20130502 In: Molecular bioSystems vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	A highly diastereoselective synthesis of α-hydroxy-β-amino acid derivatives via a Lewis acid catalyzed three-component condensation reaction. [electronic resource] by Gassa, Federico Contini, Alessandro Fontana, Gabriele Pellegrino, Sara Gelmi, Maria Luisa Producer: 20110215 In: The Journal of organic chemistry vol. 75 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Discovery of small molecule binders of human FSHR(TMD) with novel structural scaffolds by integrating structural bioinformatics and machine learning algorithms. [electronic resource] by Sahu, Bhawana Shah, Sanchi Prabhudesai, Kaushiki Contini, Alessandro Idicula-Thomas, Susan Producer: 20200413 In: Journal of molecular graphics & modelling vol. 89 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Identification of the first enantiopure Rac1-Tiam1 protein-protein interaction inhibitor and its optimized synthesis [electronic resource] by Ruffoni, Alessandro Ferri, Nicola Pinto, Andrea Pellegrino, Sara Contini, Alessandro Clerici, Francesca Publication details: MedChemComm Feb 2019 In: MedChemComm vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 45 results.