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Publications by Alessio De Simone
Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design From Molecular Dynamics and Machine Learning
European Journal of Medicinal Chemistry
Medicine
Organic Chemistry
Drug Discovery
Pharmacology
Related publications
Studies of New Fused Benzazepine as Selective Dopamine D3 Receptor Antagonists Using 3d-Qsar, Molecular Docking and Molecular Dynamics
International Journal of Molecular Sciences
Organic Chemistry
Molecular Biology
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Spectroscopy
Medicine
Catalysis
Physical
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning
ChemistryOpen
Chemistry
Recent Methods for Measuring Dopamine D3 Receptor Occupancy in Vivo: Importance for Drug Development
Frontiers in Pharmacology
Pharmacology
Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning
ChemistryOpen
Chemistry
Molecular Similarity for Machine Learning in Drug Development
Chemistry Central Journal
Chemistry
In Vitro and in Vivo Identification of Novel Positive Allosteric Modulators of the Human Dopamine D2 and D3 Receptor
Molecular Pharmacology
Molecular Medicine
Pharmacology
Dopamine D3 Receptor mRNA and Renal Response to D3 Receptor Activation in Spontaneously Hypertensive Rats
Hypertension Research
Internal Medicine
Cardiovascular Medicine
Physiology
Cardiology
Design and Synthesis of Bitopic 2Phenylcyclopropylmethylamine (PCPMA) Derivatives as Selective Dopamine D3 Receptor Ligands
A Comparative Chemogenic Analysis for Predicting Drug-Target Pair via Machine Learning Approaches
Scientific Reports
Multidisciplinary
