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Assessment of Binding Affinity via Alchemical Free-Energy Calculations

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.3120-3130

2020

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Bringing the MMFF force field to the RDKit: implementation and validation

Journal of cheminformatics, 2014-07, Vol.6 (1), p.1-37, Article 37

2014

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Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies

Journal of chemical information and modeling, 2020-11, Vol.60 (11), p.5331-5339

2020

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Interaction among Multiple Electric Vehicle Chargers: Measurements on Harmonics and Power Quality Issues

Energies (Basel), 2023-10, Vol.16 (20), p.7051

2023

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Are Commercial EV Chargers Ready to Aid with Household Power Consumption?

Electronics (Basel), 2023-04, Vol.12 (9), p.2065

2023

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A Mechanistic Hypothesis for the Aspirin-Induced Switch in Lipid Mediator Production by Cyclooxygenase‑2

Journal of the American Chemical Society, 2013-07, Vol.135 (28), p.10404-10410

Tosco, Paolo

2013

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Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

Journal of molecular modeling, 2011, Vol.17 (1), p.201-208

2011

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Long-Term Clinical and Radiological Outcomes for the Surgical Treatment of Mandibular Condylar Fractures

Journal of oral and maxillofacial surgery, 2009-05, Vol.67 (5), p.1009-1014

2009

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A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

Journal of chemical information and modeling, 2012-02, Vol.52 (2), p.302-307

2012

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Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Journal of computer-aided molecular design, 2011-08, Vol.25 (8), p.777-783

2011

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Surgical treatment and reconstruction for central giant cell granuloma of the jaws: A review of 18 cases

Journal of cranio-maxillo-facial surgery, 2009-10, Vol.37 (7), p.380-387

2009

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Composite hemangioendothelioma of the oral cavity: Case report and review of the literature

Head & neck, 2008-07, Vol.30 (7), p.974-979

2008

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Effect of structure of the electrical performance of gas diffusion electrodes for metal air batteries

Electrochimica acta, 2000-11, Vol.46 (2), p.423-432

2000

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Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin

ChemMedChem, 2009-06, Vol.4 (6), p.939-945

2009

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COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ‑Profiles

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2157-2164

2012

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Impact of bidirectional EV charging stations on a distribution network: a Power Hardware-In-the-Loop implementation

Sustainable Energy, Grids and Networks, 2023-09, Vol.35, p.101106, Article 101106

2023

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Chemical Reactivity Prediction: Current Methods and Different Application Areas

Molecular informatics, 2022-06, Vol.41 (6), p.e2100277-n/a

2022

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COSMO sar3D : Molecular Field Analysis Based on Local COSMO σ-Profiles

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2157-2164

2012

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3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D

Journal of cheminformatics, 2013-03, Vol.5 (Suppl 1), p.O13-O13, Article O13

2013

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New inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold

European journal of medicinal chemistry, 2012-03, Vol.49, p.102-109

2012

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The role of fluorine in stabilizing the bioactive conformation of dihydroorotate dehydrogenase inhibitors

Journal of molecular modeling, 2013-03, Vol.19 (3), p.1099-1107

2013

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SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects

Journal of molecular modeling, 2011-11, Vol.17 (11), p.3021-3023

2011

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6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: A new scaffold endowed with potent CDK2 inhibitory activity

European journal of medicinal chemistry, 2013-10, Vol.68, p.333-338

2013

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Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors

Bioorganic & medicinal chemistry letters, 2013-02, Vol.23 (3), p.715-719

2013

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Cover Picture: Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin (ChemMedChem 6/2009)

ChemMedChem, 2009-06, Vol.4 (6), p.885-885

2009

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Assessment of Binding Affinity via Alchemical Free-Energy Calculations

Bringing the MMFF force field to the RDKit: implementation and validation

Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies

Interaction among Multiple Electric Vehicle Chargers: Measurements on Harmonics and Power Quality Issues

Are Commercial EV Chargers Ready to Aid with Household Power Consumption?

A Mechanistic Hypothesis for the Aspirin-Induced Switch in Lipid Mediator Production by Cyclooxygenase‑2

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

Long-Term Clinical and Radiological Outcomes for the Surgical Treatment of Mandibular Condylar Fractures

A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Surgical treatment and reconstruction for central giant cell granuloma of the jaws: A review of 18 cases

Composite hemangioendothelioma of the oral cavity: Case report and review of the literature

Effect of structure of the electrical performance of gas diffusion electrodes for metal air batteries

Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin

COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ‑Profiles

Impact of bidirectional EV charging stations on a distribution network: a Power Hardware-In-the-Loop implementation

Chemical Reactivity Prediction: Current Methods and Different Application Areas

COSMO sar3D : Molecular Field Analysis Based on Local COSMO σ-Profiles

3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D

New inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold

The role of fluorine in stabilizing the bioactive conformation of dihydroorotate dehydrogenase inhibitors

SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects

6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: A new scaffold endowed with potent CDK2 inhibitory activity

Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors

Cover Picture: Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin (ChemMedChem 6/2009)

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