Nome |
# |
Computational Studies of Au(I) and Au(III) Anticancer MetalLodrugs: A Survey, file e4233f18-ab49-2860-e053-6605fe0a460a
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64
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Condensation of beta-Diester Titanium Enolates with Carbonyl Substrates: A Combined DFT and Experimental Investigation, file e4233f14-f1ff-2860-e053-6605fe0a460a
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37
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Insight into the Electrochemical Reduction Mechanism of Pt(IV) Anticancer Complexes, file e4233f19-72b1-2860-e053-6605fe0a460a
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36
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Reactivity of gold(I) monocarbene complexes with protein targets: A theoretical study, file e4233f18-64dc-2860-e053-6605fe0a460a
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34
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Insights into the Mechanisms of Aquaporin-3 Inhibition by Gold(III) Complexes: the Importance of Non-Coordinative Adduct Formation, file e4233f19-4146-2860-e053-6605fe0a460a
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34
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Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with LnIII(NO3)3·6H2O (LnIII = GdIII, TbIII, DyIII), file e4233f19-6030-2860-e053-6605fe0a460a
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33
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Mechanistic Insights Into the Anticancer Properties of the Auranofin Analog Au(PEt3)I: A Theoretical and Experimental Study, file e4233f18-2c8f-2860-e053-6605fe0a460a
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28
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A Multi-Level Theoretical Study to Disclose the Binding Mechanisms of Gold(III)-Bipyridyl Compounds as Selective Aquaglyceroporin Inhibitors, file e4233f19-3ee7-2860-e053-6605fe0a460a
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24
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Targeting aquaporin function: Potent inhibition of aquaglyceroporin-3 by a gold-based compound, file e4233f14-fcfe-2860-e053-6605fe0a460a
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21
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Elusive intermediates in cisplatin reaction with target amino acids: Platinum(II)-cysteine complexes assayed by IR ion spectroscopy and DFT calculations, file caa03693-c6e1-4711-946b-585cacedd4fd
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19
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Hydrolysis of cis- and transplatin: structure and reactivity of the aqua complexes in a solvent free environment, file e4233f15-f5ce-2860-e053-6605fe0a460a
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17
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Selective Acetamidine-Based Nitric Oxide Synthase Inhibitors: Synthesis, Docking, and Biological Studies, file e4233f17-f40c-2860-e053-6605fe0a460a
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16
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Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action Spectroscopy, file e4233f19-4a8a-2860-e053-6605fe0a460a
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16
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From Preassociation to Chelation: A Survey of Cisplatin Interaction with Methionine at Molecular Level by IR Ion Spectroscopy and Computations, file e4233f18-d732-2860-e053-6605fe0a460a
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13
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IRMPD Spectroscopy of Bare Monodeprotonated Genistein, an Antioxidant Flavonoid, file 922964a6-e2a9-48dd-8f06-06367f89efa6
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12
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Reactions of Arsenoplatin-1 with Protein Targets: A Combined Experimental and Theoretical Study, file e4233f19-3584-2860-e053-6605fe0a460a
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12
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Selective Acetamidine-Based Nitric Oxide Synthase Inhibitors: Synthesis, Docking, and Biological Studies, file e4233f19-53c7-2860-e053-6605fe0a460a
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12
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Discovery of N-{3-[(ethanimidoylamino)methyl]benzyl}-L-prolinamide dihydrochloride:
A new potent and selective inhibitor of the inducible nitric oxide synthase as a
promising agent for the therapy of malignant glioma, file e4233f19-5add-2860-e053-6605fe0a460a
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12
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Cisplatin Primary Complex with l-Histidine Target Revealed by IR Multiple Photon Dissociation (IRMPD) Spectroscopy, file e4233f19-3ee9-2860-e053-6605fe0a460a
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9
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Discovery of N-{3-[(ethanimidoylamino)methyl]benzyl}-L-prolinamide dihydrochloride:
A new potent and selective inhibitor of the inducible nitric oxide synthase as a
promising agent for the therapy of malignant glioma, file e4233f16-d09a-2860-e053-6605fe0a460a
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8
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The FMO2 analysis of the ligand-receptor binding energy: the Biscarbene-Gold(I)/DNA G-Quadruplex case study, file 763424c3-7177-49e5-8b22-6f4abc5c0e16
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5
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Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals, file 6b7507c8-2ac5-4870-b2d7-dfd5adebf335
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4
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Metal Fragment Modulation of Metallacumulene Complexes: A Density Functional Study, file e4233f14-ee1b-2860-e053-6605fe0a460a
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3
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A database approach for materials selection for hydrogen storage in aerospace technology, file e4233f17-183d-2860-e053-6605fe0a460a
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3
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Double addition of phenylacetylene onto the mixed bridge phosphinito-phosphanido Pt(i) complex [(PHCy2)Pt(μ-PCy2){κ2: P, O -μ-P(O)Cy2}Pt(PHCy2)](Pt-Pt), file e4233f18-25d2-2860-e053-6605fe0a460a
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3
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Aquation of the Ruthenium-Based Anticancer Drug NAMI-A: A Density Functional Study, file e4233f14-f1b1-2860-e053-6605fe0a460a
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2
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Synthesis, biological evaluation and docking studies of N-substituted acetamidines as selective inhibitors of inducible nitric oxide synthase, file e4233f14-f1da-2860-e053-6605fe0a460a
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2
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Investigation of the molecular similarity in closely related protein systems: The PrP case study, file e4233f15-9e5f-2860-e053-6605fe0a460a
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2
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Effects of Terminal Substituents on Metallacumulene Complexes: A Density Functional Study on (CO)5Cr(C)nX2 (X=F, SiH3, CHCH2, NH2, NO2), file e4233f15-b31e-2860-e053-6605fe0a460a
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2
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Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study, file e4233f17-748c-2860-e053-6605fe0a460a
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2
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Reactions of cisplatin and cis-[PtI2(NH3)2] with molecular models of relevant protein sidechains: A comparative analysis, file e4233f18-2600-2860-e053-6605fe0a460a
|
2
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A mixed-valence diruthenium(II,III) complex endowed with high stability: from experimental evidence to theoretical interpretation, file e4233f18-7ba3-2860-e053-6605fe0a460a
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2
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Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites, file e4233f18-b87d-2860-e053-6605fe0a460a
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2
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Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation, file e4233f19-2168-2860-e053-6605fe0a460a
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2
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null, file 02dbb17a-4b7a-47f7-8062-c015261d96dd
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1
|
null, file 33e6884e-e1f6-4ad5-a452-b98884e38e06
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1
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IRMPD spectroscopy and quantum-chemical simulations of the reaction products of cisplatin with the dipeptide CysGly, file a2177aec-e032-4f11-8c56-bad199bb97ac
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1
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Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: an integrated Car-Parrinello and TDDFT study, file e4233f14-ec8c-2860-e053-6605fe0a460a
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1
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Dissociative Route to C−H Bond Activation: DFT Study of Ligand Cyclometalation in a Platinum(II) Complex, file e4233f14-f00a-2860-e053-6605fe0a460a
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1
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Synthesis of 2-aryloxypropanoic acids analogues of clofibric acid and assignment of the absolute configuration by 1H NMR spectroscopy and DFT calculations, file e4233f14-f19c-2860-e053-6605fe0a460a
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1
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Binding of GSH conjugates to pi-GST: A cross-docking approach, file e4233f14-f88b-2860-e053-6605fe0a460a
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1
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Prediction of the PPARalpha agonism of fibrates by combined MM-docking approaches, file e4233f14-f907-2860-e053-6605fe0a460a
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1
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Facile Activation of Dihydrogen by a Phosphinito-BridgedPt(I)-Pt(I) Complex, file e4233f14-fa37-2860-e053-6605fe0a460a
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1
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N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase, file e4233f14-fad0-2860-e053-6605fe0a460a
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1
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Activation of carboplatin by carbonate: a theoretical investigation, file e4233f15-0104-2860-e053-6605fe0a460a
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1
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null, file e4233f15-66e2-2860-e053-6605fe0a460a
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1
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Activation and Reactivity of a Bispidine Analogue of Cisplatin: A Theoretical Investigation, file e4233f15-980f-2860-e053-6605fe0a460a
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1
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Aquaporin inhibition by gold(III) compounds: New insights, file e4233f15-ad08-2860-e053-6605fe0a460a
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1
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Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations, file e4233f15-ad0a-2860-e053-6605fe0a460a
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1
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Activation of carboplatin by chloride ions: a theoretical investigation, file e4233f15-ae5c-2860-e053-6605fe0a460a
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1
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Local and non-local properties controlling the strength of Bronsted acids and bases, file e4233f15-b31a-2860-e053-6605fe0a460a
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1
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Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction, file e4233f15-b713-2860-e053-6605fe0a460a
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1
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The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study, file e4233f15-de48-2860-e053-6605fe0a460a
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1
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Exploring the Conformational Variability in the Heme b Propionic Acid Side Chains through the Effect of a Biological Probe: A Study of the Isolated Ions, file e4233f16-2ae6-2860-e053-6605fe0a460a
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1
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Short-lived intermediates (encounter complexes) in cisplatin ligand exchange elucidated by infrared ion spectroscopy, file e4233f17-e1cc-2860-e053-6605fe0a460a
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1
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Recent developments of amidine-like compounds as selective NOS inhibitors, file e4233f18-c049-2860-e053-6605fe0a460a
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1
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Two mixed valence diruthenium(ii,iii) isomeric complexes show different anticancer properties, file e4233f19-216a-2860-e053-6605fe0a460a
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1
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Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action Spectroscopy, file e4233f19-2554-2860-e053-6605fe0a460a
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1
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Totale |
517 |