IL PORTALE per la RICERCA dei DIPARTIMENTI

Simone Brogi, Andrea Tafi (2013) "3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors"

Basosi R., Baratto M.C. (2013) "A spectroscopic characterization of a phenolic natural mediator in the laccase biocatalytic reaction"

Millucci L, Ghezzi L, Geminiani M, Braconi D, Santucci A (2013) "Antioxidants inhibit SAA formation and pro-inflammatory cytokine release in a human cell model of alkaptonuria."

Massimo Olivucci (2013) "Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model"

Loiselle Steven Arthur (2013) "Assimilation of MODIS Chlorophyll-a Data Into a Coupled Hydrodynamic-Biological Model of Taihu Lake"

Massimo Olivucci (2013) "Combined Self-Consistent-Field and Spin-Flip Tamm–Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry"

Tintori C, Botta M (2013) "Computational studies identifying entry inhibitor scaffolds targeting the Phe43 cavity of HIV-1 gp120."

Massimo Olivucci (2013) "Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods"

Pozzi C., Mangani S. (2013) "Crystal structure of the extended-spectrum ß-lactamase BEL-1, in native form and in complex with imipenem and moxalactam."

Marco Paolino, Stefania Lamponi, Andrea Cappelli (2013) "Cyclodextrin-Adamantane Host–Guest Interactions on the Surface of Biocompatible Adamantyl-Modified Glycodendrimers"

Deodato D, Botta M (2013) "Discovery and synthesis of novel benzofurazan derivatives as inhibitors of influenza A virus"

Botta M (2013) "Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase B (PtpB) inhibitors from natural products"

Manetti F, Petricci E, Taddei M (2013) "Discovery, Molecular and Pharmacological Characterization of GSA-10, a Novel Small-Molecule Positive Modulator of Smoothened"

Gianluca Giorgi (2013) "Divergent Behavior of the Reactions Between 1,2-Diaza-1,3-dienes and 2,5- Dioxoimidazolidin-4-ylidene-succinates"

Galvagni F (2013) "Dnmt3L Antagonizes DNA Methylation at Bivalent Promoters and Favors DNA Methylation at Gene Bodies in ESCs."

Bernini C., Olivucci M., Pogni R., Basosi R., Sinicropi A. (2013) "Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin"

F. Galvagni, Orlandini M (2013) "FOSL1 Controls the Assembly of Endothelial Cells into Capillary Tubes by Direct Repression of  alphav and  beta3 Integrin Transcription"

Pogni R., Baratto M.C., Sinicropi A., Basosi R. (2013) "Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: A novel peroxidase activation mechanism"

Maccari G, Botta M (2013) "Free energy profile and kinetics studies of paclitaxel internalization from the outer to the inner wall of microtubules"

Gaggelli Elena, Valensin Gianni (2013) "High affinity of copper(II) towards amoxicillin, apramycin and ristomycin. Effect of these complexes on the catalytic activity of HDV ribozyme"

Tintori C, Laurenzana I, Botta M. (2013) "Identification of Hck inhibitors as hits for the development of antileukemia and anti-HIV agents."

Giorgi G. (2013) "Identifying wine markers in ceramics and plasters with gas chromatography - mass spectrometry. Experimental, ethnoarchaeological and archaeological materials"

Daniele Spinelli, Rebecca Pogni (2013) "Immobilization of fungal (Trametes versicolor) laccase onto Amberlite IR-120 H beads: Optimization and characterization"

Fabrizio Manetti, Maurizio Botta (2013) "Improved BM212 MmpL3 Inhibitor Analogue Shows Efficacy in Acute Murine Model of Tuberculosis Infection"

Botta M (2013) "Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography."

Massimo Olivucci (2013) "Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction"

Stefania Fusi, Massimo Olivucci (2013) "Isomer-dependent vibrational coherence in ultrafast photoisomerization"

Federico Melaccio, Massimo Olivucci (2013) "Mapping the excited state potential energy surface of a retinal chromophore model with multireference and EOM-CC methods"

Stefania Butini, Margherita Brindisi, Simone Brogi, Giuseppe Campiani, Sandra Gemma (2013) "Multifunctional Cholinesterase and Amyloid Beta Fibrillization Modulators. Synthesis and Biological Investigation"

Gianluca Giorgi (2013) "Multiple Site-Selective Insertions of Noncanonical Amino Acids into Sequence-Repetitive Polypeptides"

Botta M (2013) "Novel Macrocyclic Amidinoureas: Potent Non-Azole Antifungals Active against Wild-Type and Resistant Candida Species."

Stefania Butini, Margherita Brindisi, Giuseppe Campiani, Sandra Gemma (2013) "Novel peptidomimetics as BACE-1 inhibitors: synthesis, molecular modeling, and biological studies"

Travagli V. (2013) "OZONATED OILS AS FUNCTIONAL DERMATOLOGICAL MATRICES: EFFECTS ON THE WOUND HEALING PROCESS USING SKH1 MICE"

Stefania Butini, Sandra Gemma, Giuseppe Campiani (2013) "PBOX-15 induces apoptosis and improves the efficacy of oxaliplatin in human colorectal cancer cell lines"

Loiselle Steven Arthur (2013) "Planktonic community metabolism in two stratified Mediterranean reservoirs with different trophic status"

Loiselle Steven Arthur (2013) "Potential effects of climate change on the water level, flora and macro-fauna of a large neotropical wetland"

Baratto M. C., Basosi R. (2013) "Prediction model based on decision tree analysis for laccase mediators"

Massimo Olivucci (2013) "Probing Vibrationally Mediated Ultrafast Excited-State Reaction Dynamics with Multireference (CASPT2) Trajectories"

Loiselle Steven Arthur (2013) "Remote determination of chromophoric dissolved organic matter in lakes, China"

Spiga O (2013) "Revealing the complexity of a monogenic disease: rett syndrome exome sequencing."

Elena Cini, Maurizio Taddei (2013) "Rhodium-Catalyzed Enantioselective Hydrogenation of (E)-Enol Acetate Acids"

Stefania Fusi (2013) "Self sensitized photooxidation of tetrathienyltetrathiafulvalenes: synthesis of thienyl substituted 1,2,5,8-tetrathiecine-6,7-dione, a new heterocyclic system "

Loiselle S.A. (2013) "Short-term dynamics of physico-chemical and biological features in a shallow, evaporative antarctic lake"

Valensin Daniela (2013) "Specific metal ion binding sites in unstructured regions of proteins"

Andrea Tafi (2013) "Stereoretentive Chlorination of Cyclic Alcohols Catalyzed by Titanium(IV) Tetrachloride: Evidence for a Front Side Attack Mechanism"

S. Mangani (2013) "Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC  -Lactamases"

Rebecca Pogni (2013) "The defensin–lipid interaction: Insights on the binding states of the human antimicrobial peptide HNP-1 to model bacterial membranes"

Valensin Daniela, Camponeschi Francesca (2013) "The extracellular loop of IRT1 ZIP protein--the chosen one for zinc?"

Campiani G (2013) "The microtubule targeting agent PBOX-15 inhibits integrin-mediated cell adhesion and induces apoptosis in acute lymphoblastic leukaemia cells"

Butini S, Brogi S, Campiani G, Brindisi M, Gemma S (2013) "The structural evolution of ß-secretase inhibitors: a focus on the development of small-molecule inhibitors."

Valensin D, Valensin G (2013) "The unusual stabilization of the Ni(2+) and Cu(2+) complexes with NSFRY"

Valensin Daniela (2013) "The zinc-binding fragment of HypA from Helicobacter pylori: a tempting site also for nickel ions"

Massimo Olivucci (2013) "Toward an Understanding of the Retinal Chromophore in Rhodopsin Mimics"

Claudia Bonechi, Claudio Rossi (2013) "Water-Protein Interactions the Secret of Protein Flexibility"

Gambassi S (2013) "Selective allosteric modulation of the 5-HT3A receptor by halogenated indole derivates"