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Author Details

Luigi Cavallo
King Abdullah University of Science and Technology (KAUST)
2000
310
44
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
37382214T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach.J Biomol Struct Dyn2024
37956272Photoexcitation of Distinct Divalent Palladium Complexes in Cross-Coupling Amination Under Air.Angew Chem Int Ed Engl2024
37955363Electronic Perturbation of Isolated Fe Coordination Structure for Enhanced Nitrogen Fixation.ACS Nano2024
37382214T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach.J Biomol Struct Dyn2024
37956272Photoexcitation of Distinct Divalent Palladium Complexes in Cross-Coupling Amination Under Air.Angew Chem Int Ed Engl2024
37955363Electronic Perturbation of Isolated Fe Coordination Structure for Enhanced Nitrogen Fixation.ACS Nano2024
36197081Merging Rh-Catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons.Chemistry2023
36197081Merging Rh-Catalyzed C-H Functionalization and Cascade Cyclization to Enable Propargylic Alcohols as Three-Carbon Synthons.Chemistry2023
36399072Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compounds.J Comput Chem2023
37857662Mechanistic insights into excited-state palladium catalysis for C-S bond formations and dehydrogenative sulfonylation of amines.Nat Commun2023
37736629Site selective gold(i)-catalysed benzylic C-H amination <i>via</i> an intermolecular hydride transfer to triazolinediones.Chem Sci2023
37905971Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.Proteins2023
37703060Solvent-Solvent Interaction Mediated Lithium-Ion (De)intercalation Chemistry in Propylene Carbonate Based Electrolytes for Lithium-Sulfur Batteries.ACS Nano2023
37768075High potential for biomass-degrading CAZymes revealed by pine forest soil metagenomics.J Biomol Struct Dyn2023
37467445<b>Suzuki-Miyaura Cross-Coupling of Amides by N-C Cleavage Mediated by Air-Stable, Well-Defined [Pd(NHC)(sulfide)Cl<sub>2</sub>] Catalysts: Reaction Development, Scope, and Mechanism</b>.J Org Chem2023
37464786The mechanism of visible light-induced C-C cross-coupling by C<sub>sp<sup>3</sup></sub>-H bond activation.Chem Soc Rev2023
37458362Gold complexes with remote-substituted amino N-heterocyclic carbenes.Dalton Trans2023
36567260Non-Flammable Electrolyte Enables High-Voltage and Wide-Temperature Lithium-Ion Batteries with Fast Charging.Angew Chem Int Ed Engl2023
37196153Pt<sup>II</sup> -N-Heterocyclic Carbene Complexes in Solvent-Free Alkene Hydrosilylation.Chemistry2023
36808688Constructing Active BN Sites in Carbon Nanosheets for High-Capacity and Fast Charging Toward Potassium Ion Storage.Small2023
37191083Simple synthetic access to [Au(IBiox)Cl] complexes.Dalton Trans2023
37365936Discriminating physiological from non-physiological interfaces in structures of protein complexes: A community-wide study.Proteomics2023
37114507Ammonia Synthesis via an Associative Mechanism on Alkaline Earth Metal Sites of Ca<sub>3</sub> CrN<sub>3</sub> H.ChemSusChem2023
37357420Toward α-1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6.J Cell Biochem2023
36851241Secreted Aspartyl Proteinases Targeted Multi-Epitope Vaccine Design for <i>Candida dubliniensis</i> Using Immunoinformatics.Vaccines (Basel)2023
36789292Improving classification of correct and incorrect protein-protein docking models by augmenting the training set.Bioinform Adv2023
36725849Modulating stereoselectivity in allylic C(sp<sup>3</sup>)-H bond arylations via nickel and photoredox catalysis.Nat Commun2023
37905971Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.Proteins2023
37857662Mechanistic insights into excited-state palladium catalysis for C-S bond formations and dehydrogenative sulfonylation of amines.Nat Commun2023
37703060Solvent-Solvent Interaction Mediated Lithium-Ion (De)intercalation Chemistry in Propylene Carbonate Based Electrolytes for Lithium-Sulfur Batteries.ACS Nano2023
37736629Site selective gold(i)-catalysed benzylic C-H amination <i>via</i> an intermolecular hydride transfer to triazolinediones.Chem Sci2023
37768075High potential for biomass-degrading CAZymes revealed by pine forest soil metagenomics.J Biomol Struct Dyn2023
37458362Gold complexes with remote-substituted amino N-heterocyclic carbenes.Dalton Trans2023
37191083Simple synthetic access to [Au(IBiox)Cl] complexes.Dalton Trans2023
37114507Ammonia Synthesis via an Associative Mechanism on Alkaline Earth Metal Sites of Ca<sub>3</sub> CrN<sub>3</sub> H.ChemSusChem2023
37467445<b>Suzuki-Miyaura Cross-Coupling of Amides by N-C Cleavage Mediated by Air-Stable, Well-Defined [Pd(NHC)(sulfide)Cl<sub>2</sub>] Catalysts: Reaction Development, Scope, and Mechanism</b>.J Org Chem2023
37464786The mechanism of visible light-induced C-C cross-coupling by C<sub>sp<sup>3</sup></sub>-H bond activation.Chem Soc Rev2023
37365936Discriminating physiological from non-physiological interfaces in structures of protein complexes: A community-wide study.Proteomics2023
37357420Toward α-1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6.J Cell Biochem2023
37196153Pt<sup>II</sup> -N-Heterocyclic Carbene Complexes in Solvent-Free Alkene Hydrosilylation.Chemistry2023
36789292Improving classification of correct and incorrect protein-protein docking models by augmenting the training set.Bioinform Adv2023
36851241Secreted Aspartyl Proteinases Targeted Multi-Epitope Vaccine Design for <i>Candida dubliniensis</i> Using Immunoinformatics.Vaccines (Basel)2023
36399072Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compounds.J Comput Chem2023
36808688Constructing Active BN Sites in Carbon Nanosheets for High-Capacity and Fast Charging Toward Potassium Ion Storage.Small2023
36567260Non-Flammable Electrolyte Enables High-Voltage and Wide-Temperature Lithium-Ion Batteries with Fast Charging.Angew Chem Int Ed Engl2023
36725849Modulating stereoselectivity in allylic C(sp<sup>3</sup>)-H bond arylations via nickel and photoredox catalysis.Nat Commun2023
34739142Gold N-Heterocyclic Carbene Catalysts for the Hydrofluorination of Alkynes Using Hydrofluoric Acid: Reaction Scope, Mechanistic Studies and the Tracking of Elusive Intermediates.Chemistry2022
36048740A Versatile Palladium Synthon: [Pd(NHC)(PhCâ¿¡CPh)].Chemistry2022
35975143Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis.Chem Sci2022
35843866Switching Electrolyte Interfacial Model to Engineer Solid Electrolyte Interface for Fast Charging and Wide-Temperature Lithium-Ion Batteries.Adv Sci (Weinh)2022
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Collaborators

University of Naples "Parthenope"
Co-authored papers 44
Co-authored papers 33
King Abdullah University of Science and Technology (KAUST)
Co-authored papers 12
Roche Pharma Research and Early Development
Co-authored papers 11
Co-authored papers 6
VIB-VUB Center for Structural Biology
Co-authored papers 4
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 4
Instituto de Ciencias de la Vid y del Vino (ICVV-CSIC)
Co-authored papers 4
Bijvoet Center for Biomolecular Research, Utrecht University
Co-authored papers 4
University Lille, CNRS
Co-authored papers 4
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 4
Utrecht University
Co-authored papers 4
Co-authored papers 3
Co-authored papers 3
Stony Brook University
Co-authored papers 3
University of Missouri
Co-authored papers 3
Boston University
Co-authored papers 3
Co-authored papers 3
Co-authored papers 3
European Bioinformatics Institute
Co-authored papers 3
Co-authored papers 3
Purdue University
Co-authored papers 3
Perelman School of Medicine, University of Pennsylvania
Co-authored papers 3
Boston University
Co-authored papers 3
International University of Health and Welfare (IUHV Hospital)
Co-authored papers 2
GSK Medicines Research Centre
Co-authored papers 2
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 2
University of Massachusetts Medical School
Co-authored papers 2
University of Massachusetts Medical School
Co-authored papers 2
The University of Kansas
Co-authored papers 2