Angelo D. Favia

发表

Using Chemical Structure to Infer Biological Function

Irene Nobeli, Angelo D. Favia, I. Nobeli, 2011 .

SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design

Irene Nobeli, Andrea Cavalli, Paola Bisignano, 2011, J. Chem. Inf. Model..

In Silico Deconstruction of ATP-Competitive Inhibitors of Glycogen Synthase Kinase-3β

Manuele Bicego, Vittorio Murino, Andrea Cavalli, 2012, J. Chem. Inf. Model..

An Innovative Protocol for Comparing Protein Binding Sites via Atomic Grid Maps

Manuele Bicego, Vittorio Murino, Andrea Cavalli, 2011, KDIR.

Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations

Andrea Cavalli, Paola Bisignano, Matthew J. Harvey, 2014, J. Chem. Inf. Model..

Molecular docking for substrate identification: the short-chain dehydrogenases/reductases.

Angelo D. Favia, J. Thornton, F. Glaser, 2008, Journal of molecular biology.

Protein promiscuity and its implications for biotechnology

Angelo D. Favia, J. Thornton, I. Nobeli, 2009, Nature Biotechnology.

Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods

Angelo D. Favia, A. Cavalli, M. Recanatini, 2011, PloS one.

Deciphering Cryptic Binding Sites on Proteins by Mixed-Solvent Molecular Dynamics

Woody Sherman, Angelo D. Favia, Angelo D Favia, 2017, J. Chem. Inf. Model..

On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteins

Janet M Thornton, Angelo D. Favia, Angelo D Favia, 2010, Proteins.

Protein promiscuity and its implications for

Angelo D. Favia, J. Thornton, 2009 .

The SDR (short-chain dehydrogenase/reductase and related enzymes) nomenclature initiative.

Janet M Thornton, Sandra Orchard, Edmund Maser, 2009, Chemico-biological interactions.

Computational methods for the design of potent aromatase inhibitors

Angelo D. Favia, F. Leonetti, O. Nicolotti, 2013, Expert opinion on drug discovery.

11β-Hydroxysteroid dehydrogenase type 1 inhibitors with oleanan and ursan scaffolds

Angelo D. Favia, A. Blum, E. Maser, 2009, Molecular and Cellular Endocrinology.

Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors.

Angelo Carotti, Francesco Leonetti, Angelo D. Favia, 2004, Journal of medicinal chemistry.

Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches.

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2006, Journal of medicinal chemistry.

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase.

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2011, Journal of medicinal chemistry.

Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.

Andrea Armirotti, Paola Bisignano, Maria Laura Bolognesi, 2015, Angewandte Chemie.

Three‐dimensional model of the human aromatase enzyme and density functional parameterization of the iron‐containing protoporphyrin IX for a molecular dynamics study of heme‐cysteinato cytochromes

Angelo Carotti, Matteo Masetti, Maurizio Recanatini, 2006, Proteins.

The role of fragment-based and computational methods in polypharmacology.

Maurizio Recanatini, Angelo D. Favia, Giovanni Bottegoni, 2012, Drug discovery today.

Theoretical and computational approaches to ligand-based drug discovery.

Angelo D. Favia, Angelo D Favia, 2011, Frontiers in bioscience.

Identification and characterization of carprofen as a multi-target FAAH/COX inhibitor

Angelo D. Favia, D. Piomelli, D. Habrant, 2013 .

Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor.

Angelo D. Favia, A. Cavalli, D. Piomelli, 2012, Journal of medicinal chemistry.

Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments

Paola Bisignano, Angelo D. Favia, Giovanni Bottegoni, 2016, ChemMedChem.

The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition

Angelo D. Favia, G. Palermo, M. Convertino, 2015, ChemMedChem.

The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition

Angelo D. Favia, Marco De Vivo, Giulia Palermo, 2015, ChemMedChem.

Theoretical and computational approaches to ligand-based drug discovery.

Angelo D. Favia, 2011, Frontiers in Bioscience.

Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations

Angelo D. Favia, A. Cavalli, M. Harvey, 2014, J. Chem. Inf. Model..

Analysis of the substrate-binding site of human carbonyl reductases CBR1 and CBR3 by site-directed mutagenesis.

Angelo D. Favia, U. Oppermann, E. Maser, 2009, Chemico-biological interactions.