MAFFUCCI, IRENE

MAFFUCCI, IRENE  

Dipartimento di Scienze Farmaceutiche  

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Titolo Data di pubblicazione Autori Tipo File Abstract
2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate : an Appealing Scaffold for the Design of Rac1-Tiam1 Protein-Protein Interaction Inhibitors 2014 A. RuffoniN. FerriC. RicciA. CorsiniI. MaffucciF. ClericiA. Contini + Article (author) -
A semiautomated Nwat-MM-GBSA workflow for fast and accurate predictions of relative binding free energies 2015 I. MaffucciA. Contini Conference Object -
A tendril perversion in a helical oligomer : trapping and characterizing a mobile screw-sense reversal 2017 I. MaffucciA. Contini + Article (author) -
An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings 2018 I. MaffucciX. HuA. Contini + Article (author) -
An updated test of AMBER force fields and implicit solvent models in predicting the secondary structure of helical, beta-hairpin, and intrinsically disordered peptides 2016 I. MaffucciA. Contini Article (author) -
Automatization of the Nwat-MMGBSA method to rescore docking results in medium-throughput virtual screening applications 2017 I. MaffucciX. HuA. Contini + Conference Object -
Behind the helix stabilization and screw sense preferences of chiral Cα-tetrasubstituted α-amino acids 2016 I. MaffucciA. Contini Book Part (author) -
Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts 2016 MAFFUCCI, IRENECONTINI, ALESSANDRO + Article (author) -
Explicit Ligand hydration shells improve the correlation between MM-PB/GBSA binding energies and experimental activities 2013 I. MaffucciA. Contini Article (author) -
Fluoro-Aryl Substituted α,β2,3-Peptides in the Development of Foldameric Antiparallel β-Sheets: A Conformational Study 2019 Raffaella BucciAlessandro ContiniFrancesca ClericiEgle Maria BeccalliIrene MaffucciSara PellegrinoMaria Luisa Gelmi + Article (author) -
Improved Computation of Protein–Protein Relative Binding Energies with the Nwat-MMGBSA Method 2016 I. MaffucciA. Contini Article (author) -
Improving the reliability of MM-PBSA and MM-GBSA binding energy predictions by explicitly considering ligand solvation shells 2014 I. MaffucciA. Contini Conference Object -
Mechanism of stabilization of helix secondary structure by constrained Cα-tetrasubstituted alpha-amino acids 2015 I. MaffucciS. PellegrinoA. Contini + Article (author) -
Model peptides containing the 3-sulfanylnorbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 3(10)-helix secondary structures 2015 A. RuffoniA. ContiniR. SoaveL. Lo PrestiI. MaffucciD. NavaS. PellegrinoM.L. GelmiF. Clerici + Article (author) -
OPTIMIZATION AND APPLICATION OF COMPUTATIONAL METHODS FOR THE DESIGN OF PROTEIN-PROTEIN INTERACTIONS MODULATORS 2015 I. Maffucci Doctoral Thesis -
Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based Peptides 2015 I. MaffucciA. Contini + Article (author) -
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions 2015 I. MaffucciA. Contini Book Part (author) -
Use of Chiral Cα-Tetrasubstituted Amino Acids For Stabilizing The Geometry and Screw Sense of Helical Secondary Structures. 2015 I. MaffucciS. PellegrinoA. Contini Book Part (author) -