Concepedia

Irene Maffucci

IM

20

Publications

879

Citations

18

H-Index

2013

Active since

Affiliations

University of Milan(Current)

Université de Technologie de Compiègne

Centre National de la Recherche Scientifique

University of Manchester

Sorbonne Université

Irene Maffucci is an author at University of Milan specializing in natural sciences, biochemistry, and molecular biology.

Top concepts

Natural SciencesBiochemistryMedicineMolecular BiologyBiophysicsProtein FoldingStructural BiologyMolecular BiophysicsEngineeringPeptide Science

Publications per year

2013–2023

20

Publications

20

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

Samantha Staniland, Ralph W. Adams, Joseph J. W. McDouall et al. · Angewandte Chemie International Edition · 2016 · 134 citations · Full text

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

Irene Maffucci, Alessandro Contini · Journal of Chemical Theory and Computation · 2013 · 81 citations · Full text

Engineering, Mm-pb/gbsa Binding Energies, Computational Chemistry +24

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

Irene Maffucci, Alessandro Contini · Journal of Chemical Information and Modeling · 2016 · 71 citations

Biomolecular Structure Prediction, Molecular Biology, Computational Chemistry +18

In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins

Irene Maffucci, Alessandro Contini · Journal of Proteome Research · 2020 · 70 citations · Full text

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

Irene Maffucci, Xiao Hu, Valentina Fumagalli et al. · Frontiers in Chemistry · 2018 · 69 citations · Full text

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