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List of works by Irene Maffucci

2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate: an appealing scaffold for the design of Rac1-Tiam1 protein-protein interaction inhibitors

scientific article published on 21 February 2014

A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal

scientific article published on 25 January 2017

Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations

scientific article published on 01 January 2019

An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.

scientific article

An Updated Test of AMBER Force Fields and Implicit Solvent Models in Predicting the Secondary Structure of Helical, β-Hairpin, and Intrinsically Disordered Peptides

scientific article published on 19 January 2016

Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts.

scientific article published on 9 August 2016

Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities.

scientific article published on 16 May 2013

Fluoro-Aryl Substituted α,β-Peptides in the Development of Foldameric Antiparallel β-Sheets: A Conformational Study

scientific article published on 02 April 2019

Genetic background and immunological status influence B cell repertoire diversity in mice

scientific article published on 03 October 2019

Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA Method.

scientific article published on 8 August 2016

Mechanism of Stabilization of Helix Secondary Structure by Constrained Cα-Tetrasubstituted α-Amino Acids

scientific article published on 12 January 2015

Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures

article

Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based Peptides

scientific article published on 22 October 2015

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