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An Updated Test of AMBER Force Fields and Implicit Solvent Models in Predicting the Secondary Structure of Helical, β-Hairpin, and Intrinsically Disordered Peptides.Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities.A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversalBiocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts.Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA Method.An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based PeptidesMechanism of Stabilization of Helix Secondary Structure by Constrained Cα-Tetrasubstituted α-Amino AcidsFluoro-Aryl Substituted α,β-Peptides in the Development of Foldameric Antiparallel β-Sheets: A Conformational Study2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate: an appealing scaffold for the design of Rac1-Tiam1 protein-protein interaction inhibitorsAdvances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy CalculationsGenetic background and immunological status influence B cell repertoire diversity in mice
P50
Q40089384-3D60FC2F-D9A2-45D5-959E-4ED36FD503DBQ40303491-BB0F3063-DE54-4737-858B-F79BFA7D8196Q42292799-E0BB1D8C-1BB2-4264-9E92-8192DEB9A2EAQ48121334-0AE6C813-4BA0-41F6-90E0-A030E95F4EDCQ51569715-5290ABB4-2E32-4BE0-9DBE-71AF38B69828Q55385594-B3CCC170-F9C4-43C7-9B78-BB171684FA16Q59605765-969EB962-FB19-4620-8C7C-2E089AB27F55Q59605882-7A352813-BAF2-4BB8-9AF2-D07899DA9176Q64084390-BA2D5889-C6D6-42C9-90A7-6D067AD9C50BQ87278741-C2F2EE61-B2E4-4725-B9AE-836AEEAA1C05Q88658888-5DDB960F-0397-4FBB-B462-0A05C5DBED52Q90468183-00F876C6-37AD-444E-BCDE-A51C07AA5611
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Irene Maffucci
@en
Irene Maffucci
@nl
type
label
Irene Maffucci
@en
Irene Maffucci
@nl
prefLabel
Irene Maffucci
@en
Irene Maffucci
@nl
P31
P496
0000-0002-4524-1137