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Journal of Chemical Theory and Computation|January 20, 2016
An Updated Test of AMBER Force Fields and Implicit Solvent Models in Predicting the Secondary Structure of Helical, β-Hairpin, and Intrinsically Disordered PeptidesIrene Maffucci, Alessandro ContiniJournal of Chemical Information and Modeling|August 9, 2016
Improved Computation of Protein-Protein Relative Binding Energies with the Nwat-MMGBSA MethodIrene Maffucci, Alessandro ContiniJournal of Chemical Theory and Computation|November 20, 2015
Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental ActivitiesIrene Maffucci, Alessandro ContiniJournal of Chemical Information and Modeling|May 8, 2019
Rescoring Virtual Screening Results with the MM-PBSA Methods: Beware of Internal Dielectric ConstantsXiao Hu, Alessandro ContiniPlos One|November 27, 2014
Influence of nonenzymatic posttranslational modifications on constitution, oligomerization and receptor binding of S100A12Kerstin Augner, Jutta Eichler, Wolfgang Utz, et al.Protein and Peptide Letters|December 20, 2003
Solid-phase synthesis of structurally diverse scaffolded peptides for the mimicry of discontinuous protein binding sitesRaimo Franke, Christian Doll, Victor Wray, et al.Frontiers in Bioengineering and Biotechnology|February 3, 2016
Synthetic Peptides as Protein MimicsAndrea Groß, Chie Hashimoto, Heinrich Sticht, et al.Organic & Biomolecular Chemistry|September 30, 2004
Loops on loops: generation of complex scaffolded peptides presenting multiple cyclic fragmentsRaimo Franke, Christian Doll, Victor Wray, et al.Advances in Bioinformatics|February 8, 2012
Structural Basis for Species Selectivity in the HIV-1 gp120-CD4 Interaction: Restoring Affinity to gp120 in Murine CD4 Mimetic PeptidesKristin Kassler, Julia Meier, Jutta Eichler, et al.Beilstein Journal of Organic Chemistry|December 5, 2012
Peptides presenting the binding site of human CD4 for the HIV-1 envelope glycoprotein gp120Julia Meier, Kristin Kassler, Heinrich Sticht, et al.Pageof 13