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2020 – today
- 2024
[j12]Carlo Bigiotti, Elisa Bianconi, Luana Ruta, Silvia Grottelli, Alice Coletti, Mirco Dindo, Andrea Carotti
, Barbara Cellini, Antonio Macchiarulo:
Molecular Dynamics-Ensemble Docking and Biophysical Studies for Structure-Based Identification of Non-Amino Acidic Ligands of DDAH-1. J. Chem. Inf. Model. 64(17): 6866-6879 (2024)- 2020
- [j11]Abdurrahman Olgaç, Andrea Carotti, Christian Kretzer, Stephanie Zergiebel, Andreas Seeling, Ulrike Garscha, Oliver Werz, Antonio Macchiarulo, Erden Banoglu:
Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening Protocol. J. Chem. Inf. Model. 60(3): 1737-1748 (2020)
2010 – 2019
- 2014
- [j10]Roberto Nuti, Marco Gargaro, Davide Matino, Daniela Dolciami, Ursula Grohmann, Paolo Puccetti, Francesca Fallarino, Antonio Macchiarulo:
Ligand Binding and Functional Selectivity of l-Tryptophan Metabolites at the Mouse Aryl Hydrocarbon Receptor (mAhR). J. Chem. Inf. Model. 54(12): 3373-3383 (2014) - 2010
- [j9]Marco Cellanetti, Viswanath Gunda, Li Wang, Antonio Macchiarulo, Roberto Pellicciari:
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. 24(11): 943-956 (2010) - [j8]Cristina Dezi, Andrea Carotti, Matteo Magnani, Massimo Baroni, Alessandro Padova, Gabriele Cruciani, Antonio Macchiarulo, Roberto Pellicciari:
Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction. J. Chem. Inf. Model. 50(8): 1451-1465 (2010)
2000 – 2009
- 2009
- [j7]Antonio Macchiarulo, Roberto Nuti, Gokcen Eren, Roberto Pellicciari:
Charting the Chemical Space of Target Sites: Insights into the Binding Modes of Amine and Amidine Groups. J. Chem. Inf. Model. 49(4): 900-912 (2009) - [j6]Antonio Macchiarulo, Janet M. Thornton, Irene Nobeli:
Mapping Human Metabolic Pathways in the Small Molecule Chemical Space. J. Chem. Inf. Model. 49(10): 2272-2289 (2009) - 2008
- [j5]Antonio Macchiarulo, Antimo Gioiello, Charles Thomas, Alberto Massarotti, Roberto Nuti, Emiliano Rosatelli, Paola Sabbatini, Kristina Schoonjans, Johan Auwerx, Roberto Pellicciari:
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. 48(9): 1792-1801 (2008) - [j4]Antonio Macchiarulo, Nicola Giacche, Andrea Carotti, Massimo Baroni, Gabriele Cruciani, Roberto Pellicciari:
Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition. J. Chem. Inf. Model. 48(10): 1999-2009 (2008) - 2006
- [j3]Cristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari:
Pharmacophore model for bile acids recognition by the FPR receptor. J. Comput. Aided Mol. Des. 20(5): 295-303 (2006) - 2004
- [j2]Antonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard F. Ecker, Daniele Bellocchi, Roberto Pellicciari:
Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses. J. Chem. Inf. Model. 44(5): 1829-1839 (2004) - 2002
- [j1]Gabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari:
Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding. J. Comput. Aided Mol. Des. 16(11): 779-784 (2002)
Coauthor Index
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