Antonio Macchiarulo

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2024 J jnl
Molecular Dynamics-Ensemble Docking and Biophysical Studies for Structure-Based Identification of Non-Amino Acidic Ligands of DDAH-1.
J. Chem. Inf. Model.
Carlo Bigiotti, Elisa Bianconi, Luana Ruta, Silvia Grottelli, Alice Coletti, Mirco Dindo, Andrea Carotti, Barbara Cellini, Antonio Macchiarulo
2020 J jnl
Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening Protocol.
J. Chem. Inf. Model.
Abdurrahman Olgaç, Andrea Carotti, Christian Kretzer, Stephanie Zergiebel, Andreas Seeling, Ulrike Garscha, Oliver Werz, Antonio Macchiarulo, Erden Banoglu
2014 J jnl
Ligand Binding and Functional Selectivity of l-Tryptophan Metabolites at the Mouse Aryl Hydrocarbon Receptor (mAhR).
J. Chem. Inf. Model.
Roberto Nuti, Marco Gargaro, Davide Matino, Daniela Dolciami, Ursula Grohmann, Paolo Puccetti, Francesca Fallarino, Antonio Macchiarulo
2010 J jnl
Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP).
J. Comput. Aided Mol. Des.
Marco Cellanetti, Viswanath Gunda, Li Wang, Antonio Macchiarulo, Roberto Pellicciari
2010 J jnl
Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction.
J. Chem. Inf. Model.
Cristina Dezi, Andrea Carotti, Matteo Magnani, Massimo Baroni, Alessandro Padova, Gabriele Cruciani, Antonio Macchiarulo, Roberto Pellicciari
2009 J jnl
Charting the Chemical Space of Target Sites: Insights into the Binding Modes of Amine and Amidine Groups.
J. Chem. Inf. Model.
Antonio Macchiarulo, Roberto Nuti, Gokcen Eren, Roberto Pellicciari
2009 J jnl
Mapping Human Metabolic Pathways in the Small Molecule Chemical Space.
J. Chem. Inf. Model.
Antonio Macchiarulo, Janet M. Thornton, Irene Nobeli
2008 J jnl
Molecular Field Analysis and 3D-Quantitative Structure-Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5.
J. Chem. Inf. Model.
Antonio Macchiarulo, Antimo Gioiello, Charles Thomas, Alberto Massarotti, Roberto Nuti, Emiliano Rosatelli, Paola Sabbatini, Kristina Schoonjans, Johan Auwerx, Roberto Pellicciari
2008 J jnl
Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition.
J. Chem. Inf. Model.
Antonio Macchiarulo, Nicola Giacche, Andrea Carotti, Massimo Baroni, Gabriele Cruciani, Roberto Pellicciari
2006 J jnl
Pharmacophore model for bile acids recognition by the FPR receptor.
J. Comput. Aided Mol. Des.
Cristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari
2004 J jnl
Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses.
J. Chem. Inf. Model.
Antonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard F. Ecker, Daniele Bellocchi, Roberto Pellicciari
2002 J jnl
Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding.
J. Comput. Aided Mol. Des.
Gabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari