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Mostrati risultati da 21 a 40 di 85
Titolo Data di pubblicazione Autori Rivista Serie Titolo libro
A new inactive conformation of SARS-CoV-2 main protease 2022 Fornasier, EmanueleMacchia, Maria LudovicaGiachin, GabrieleSosic, AlicePavan, MatteoSturlese, MattiaSalata, CristianoMoro, StefanoGatto, BarbaraBellanda, MassimoBattistutta, Roberto ACTA CRYSTALLOGRAPHICA. SECTION D, STRUCTURAL BIOLOGY - -
Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation 2022 Cuzzolin, AlbertoSturlese, MSosic, AliceBarone, MarcoGatto, BarbaraMacchia, Maria Ludovica.Bellanda, MBattistutta, RobertoSalata, CristianoMoro, Stefano + CHEMICAL SCIENCE - -
Investigating RNA-protein recognition mechanisms through supervised molecular dynamics (SuMD) simulations 2022 Matteo PavanDavide BassaniMattia SturleseStefano Moro NAR GENOMICS AND BIOINFORMATICS - -
Computational Strategies to Identify New Drug Candidates against Neuroinflammation 2022 Pavan, MatteoBassani, DavideBolcato, GiovanniBissaro, MaicolSturlese, MattiaMoro, Stefano CURRENT MEDICINAL CHEMISTRY - -
Shedding Light on the Molecular Recognition of Sub-Kilodalton Macrocyclic Peptides on Thrombin by Supervised Molecular Dynamics 2021 Bolcato, GiovanniBissaro, MaicolSturlese, MattiaMoro, Stefano + FRONTIERS IN MOLECULAR BIOSCIENCES - -
Comparative molecular dynamics investigation of the electromotile hearing protein prestin 2021 Sturlese M.Giachin G.Battistutta R. + INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES - -
HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR 2021 Ferrari, FrancescaBissaro, MaicolFabbian, SimoneDe Almeida Roger, JessicaMammi, StefanoMoro, StefanoBellanda, MassimoSturlese, Mattia JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY - -
Pyridazinones containing dithiocarbamoyl moieties as a new class of selective MAO-B inhibitors 2021 Sturlese M.Moro S. + BIOORGANIC CHEMISTRY - -
A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1 delta 2021 Bolcato, GiovanniPavan, MatteoBissaro, MaicolBassani, DavideSturlese, MattiaMoro, Stefano + INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES - -
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332 2021 Pavan, MatteoBolcato, GiovanniBassani, DavideSturlese, MattiaMoro, Stefano JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY - -
Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 M pro by Using Supervised Molecular Dynamics (SuMD) Simulations 2021 Bissaro, MaicolBolcato, GiovanniPavan, MatteoBassani, DavideSturlese, MattiaMoro, Stefano CHEMMEDCHEM - -
Comparing fragment binding posesprediction using HSP90 as a key study: When bound water makes the difference 2020 Bolcato G.Bissaro M.Sturlese M.Moro S. MOLECULES - -
New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations 2020 Bolcato G.Bissaro M.Deganutti G.Sturlese M.Moro S. BIOMOLECULES - -
Novel coumarin-pyridazine hybrids as selective MAO-B inhibitors for the Parkinson’s disease therapy 2020 Sturlese, MattiaMoro, Stefano + BIOORGANIC CHEMISTRY - -
Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules? 2020 Bissaro M.Sturlese M.Moro S. FRONTIERS IN CHEMISTRY - -
Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 δinhibitors 2020 Bolcato G.Bissaro M.Valentini A.Ferlin M. G.Sturlese M.Moro S. + ACS MEDICINAL CHEMISTRY LETTERS - -
Targeting G protein-coupled receptors with magnetic carbon nanotubes: The A3 adenosine receptor case 2020 Sturlese, MattiaMoro, Stefano + CHEMMEDCHEM - -
The rise of molecular simulations in fragment-based drug design (FBDD): an overview 2020 Bissaro M.Sturlese M.Moro S. DRUG DISCOVERY TODAY - -
A High-Throughput Screening Identifies MICU1 Targeting Compounds 2020 Di Marco, GiuliaVallese, FrancescaSturlese, MattiaDe Mario, AgneseMoro, StefanoRizzuto, RosarioDe Stefani, DiegoMammucari, Cristina + CELL REPORTS - -
Design, synthesis, structural analysis and biochemical studies of stapled AIF(370-394) analogues as ligand of CypA 2020 Sturlese, MattiaRoger, Jessica De Almeida + BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS - -
Mostrati risultati da 21 a 40 di 85
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