Davide Sabbadin
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The mitochondrial calcium uniporter is a multimer that can include a dominant‐negative pore‐forming subunit
A Raffaello, D De Stefani, D Sabbadin, E Teardo, G Merli, A Picard, ...
The EMBO journal 32 (17), 2362-2376, 2013
Shape-based generative modeling for de novo drug design
M Skalic, J Jiménez, D Sabbadin, G De Fabritiis
Journal of chemical information and modeling 59 (3), 1205-1214, 2019
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges
I Kufareva, V Katritch, RC Stevens, R Abagyan
Structure 22 (8), 1120-1139, 2014
Supervised molecular dynamics (SuMD) as a helpful tool to depict GPCR–ligand recognition pathway in a nanosecond time scale
D Sabbadin, S Moro
Journal of chemical information and modeling 54 (2), 372-376, 2014
From target to drug: generative modeling for the multimodal structure-based ligand design
M Skalic, D Sabbadin, B Sattarov, S Sciabola, G De Fabritiis
Molecular pharmaceutics 16 (10), 4282-4291, 2019
Deciphering the complexity of ligand–protein recognition pathways using supervised molecular dynamics (SuMD) simulations
A Cuzzolin, M Sturlese, G Deganutti, V Salmaso, D Sabbadin, A Ciancetta, ...
Journal of chemical information and modeling 56 (4), 687-705, 2016
Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR–Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study
D Sabbadin, A Ciancetta, S Moro
Journal of Chemical Information and Modeling 54 (1), 169-183, 2014
Advances in computational techniques to study GPCR–ligand recognition
A Ciancetta, D Sabbadin, S Federico, G Spalluto, S Moro
Trends in pharmacological sciences 36 (12), 878-890, 2015
Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information
S Paoletta, D Sabbadin, I Von Kügelgen, S Hinz, V Katritch, K Hoffmann, ...
Journal of computer-aided molecular design 29, 737-756, 2015
3-Hydroxy-1H-quinazoline-2, 4-dione derivatives as new antagonists at ionotropic glutamate receptors: Molecular modeling and pharmacological studies
V Colotta, O Lenzi, D Catarzi, F Varano, L Squarcialupi, C Costagli, ...
European journal of medicinal chemistry 54, 470-482, 2012
Exploring the recognition pathway at the human A 2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations
D Sabbadin, A Ciancetta, G Deganutti, A Cuzzolin, S Moro
Medchemcomm 6 (6), 1081-1085, 2015
Adenosiland: walking through adenosine receptors landscape
M Floris, D Sabbadin, R Medda, A Bulfone, S Moro
European journal of medicinal chemistry 58, 248-257, 2012
New insight into adenosine receptors selectivity derived from a novel series of [5-substituted-4-phenyl-1, 3-thiazol-2-yl] benzamides and furamides
GS Inamdar, AN Pandya, HM Thakar, V Sudarsanam, S Kachler, ...
European Journal of Medicinal Chemistry 63, 924-934, 2013
Cyclization of active methylene isocyanides with α-oxodithioesters induced by base: An expedient synthesis of 4-methylthio/ethoxycarbonyl-5-acylthiazoles
KR Kiran, TR Swaroop, N Rajeev, SM Anil, KS Rangappa, MP Sadashiva
Synthesis 52 (09), 1444-1450, 2020
Insecticidal spider toxins are high affinity positive allosteric modulators of the nicotinic acetylcholine receptor
C Chambers, P Cutler, YH Huang, JA Goodchild, J Blythe, CK Wang, ...
FEBS letters 593 (12), 1336-1350, 2019
PathwayMap: molecular pathway association with self-normalizing neural networks
J Jimenez, D Sabbadin, A Cuzzolin, G Martinez-Rosell, J Gora, ...
Journal of chemical information and modeling 59 (3), 1172-1181, 2018
Defining and exploiting hypersensitivity hotspots to facilitate abscisic acid agonist optimization
D Elzinga, E Sternburg, D Sabbadin, M Bartsch, SY Park, A Vaidya, ...
ACS chemical biology 14 (3), 332-336, 2019
Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor–Ligand Recognition: The Human A2A Adenosine Receptor as a …
D Sabbadin, A Ciancetta, S Moro
Journal of Chemical Information and Modeling 54 (10), 2846-2855, 2014
Molecular modelling studies on Arylthioindoles as potent inhibitors of tubulin polymerization
A Coluccia, D Sabbadin, A Brancale
European journal of medicinal chemistry 46 (8), 3519-3525, 2011
Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation
L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ...
Chemical science 13 (13), 3674-3687, 2022
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