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1
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Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.
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J Med Chem
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2008
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0.95
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2
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A tetranuclear 3d-4f single molecule magnet: [CuIILTbIII(hfac)2]2.
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J Am Chem Soc
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2004
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0.88
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3
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Nature of copper(II)-lanthanide(III) magnetic interactions and generation of a large magnetic moment with magnetic anisotropy of 3d-4f cyclic cylindrical tetranuclear complexes [CuIILLnIII(hfac)2]2, (H3L = 1-(2-hydroxybenzamido)-2-(2-hydroxy-3-methoxybenzylideneamino)ethane and Hhfac = hexafluoroacetylacetone, LnIII = Eu, Gd, Tb, Dy).
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Inorg Chem
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2003
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0.87
|
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4
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Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound.
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PLoS One
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2012
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0.85
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5
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pH-Dependent Monomer <--> Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl).
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Inorg Chem
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1999
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0.84
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|
6
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Rearrangement of N-aryl-2-vinylaziridines to benzoazepines and dihydropyrroles: a synthetic and theoretical study.
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Chemistry
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2009
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0.83
|
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7
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Aquaporin inhibition by gold(III) compounds: new insights.
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ChemMedChem
|
2013
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0.83
|
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8
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Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT.
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Dalton Trans
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2010
|
0.81
|
|
9
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Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective.
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Acc Chem Res
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2011
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0.80
|
|
10
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Calcium binding promotes prion protein fragment 90-231 conformational change toward a membrane destabilizing and cytotoxic structure.
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PLoS One
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2012
|
0.80
|
|
11
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Structural insight into peroxisome proliferator-activated receptor gamma binding of two ureidofibrate-like enantiomers by molecular dynamics, cofactor interaction analysis, and site-directed mutagenesis.
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J Med Chem
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2010
|
0.80
|
|
12
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Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation study.
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J Phys Chem A
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2009
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0.79
|
|
13
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Synthesis, biological evaluation, and docking studies of N-substituted acetamidines as selective inhibitors of inducible nitric oxide synthase.
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J Med Chem
|
2009
|
0.79
|
|
14
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Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: an integrated Car-Parrinello and TDDFT study.
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J Am Chem Soc
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2005
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0.79
|
|
15
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High level theoretical study of benzene-halide adducts: the importance of C-H-anion hydrogen bonding.
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J Phys Chem A
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2009
|
0.78
|
|
16
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TiCl4-promoted condensation of methyl acetoacetate, isobutyraldehyde, and indole: a theoretical and experimental study.
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Phys Chem Chem Phys
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2015
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0.78
|
|
17
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N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase.
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Bioorg Med Chem Lett
|
2010
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0.78
|
|
18
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Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex.
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J Am Chem Soc
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2010
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0.78
|
|
19
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Theoretical study of alkali cation-benzene complexes: potential energy surfaces and binding energies with improved results for rubidium and cesium.
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J Phys Chem A
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2006
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0.78
|
|
20
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Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach.
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J Phys Chem B
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2007
|
0.77
|
|
21
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Selective inhibition of iNOS by benzyl- and dibenzyl derivatives of N-(3-aminobenzyl)acetamidine.
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ChemMedChem
|
2011
|
0.77
|
|
22
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Serine O-sulfation probed by IRMPD spectroscopy.
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Phys Chem Chem Phys
|
2015
|
0.77
|
|
23
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Binding of GSH conjugates to π-GST: a cross-docking approach.
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J Mol Graph Model
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2011
|
0.76
|
|
24
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Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction.
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ChemMedChem
|
2006
|
0.76
|
|
25
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Selective functionalization of the Si(100) surface by a bifunctional alkynylamine molecule: density functional study of the switching adsorption linkage. 2.
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J Phys Chem B
|
2006
|
0.75
|
|
26
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Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study.
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J Phys Chem B
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2008
|
0.75
|
|
27
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Condensation of beta-diester titanium enolates with carbonyl substrates: a combined DFT and experimental investigation.
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Chemistry
|
2009
|
0.75
|
|
28
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Pt-Mo and Pt-W mixed-metal clusters with chelating or bridging diphosphine short-bite ligands (Ph2P)2NH and (Ph2P)2N(CH2)9CH3: a combined synthetic and theoretical study.
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Inorg Chem
|
2012
|
0.75
|
|
29
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Activation of carboplatin by carbonate: a theoretical investigation.
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Dalton Trans
|
2012
|
0.75
|
|
30
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Synthesis, structure, luminescence, and magnetic properties of a single-ion magnet "mer"-[tris(N-[(imidazol-4-yl)-methylidene]-DL-phenylalaninato)terbium(III) and related "fac"-DL-alaninato derivative.
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Inorg Chem
|
2014
|
0.75
|
|
31
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Synthesis and magnetic properties of heterometal cyclic tetranuclear complexes [Cu(II)LM(II)(hfac)]2 (M(II) = Zn, Cu, Ni, Co, Fe, Mn; H3L = 1-(2-hydroxybenzamido)-2-((2-hydroxy-3-methoxybenzylidene)amino)ethane; Hhfac = hexafluoroacetylacetone).
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Inorg Chem
|
2003
|
0.75
|
|
32
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Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations.
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Dalton Trans
|
2013
|
0.75
|
|
33
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Prediction of the PPARα agonism of fibrates by combined MM-docking approaches.
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J Mol Graph Model
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2011
|
0.75
|
|
34
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Acetylene to vinylidene rearrangements on electron rich d6 metal centers: a density functional study.
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Dalton Trans
|
2004
|
0.75
|
|
35
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Crystal field splitting of the ground state of terbium(III) and dysprosium(III) complexes with a triimidazolyl tripod ligand and an acetate determined by magnetic analysis and luminescence.
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Inorg Chem
|
2014
|
0.75
|
|
36
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Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study.
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Langmuir
|
2006
|
0.75
|
|
37
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Site selectivity in the protonation of a phosphinito bridged Pt(I)-Pt(I) complex: a combined NMR and density-functional theory mechanistic study.
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Inorg Chem
|
2008
|
0.75
|
|
38
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Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.
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Chem Commun (Camb)
|
2004
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0.75
|
|
39
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Ferro- and antiferromagnetic interactions in face-sharing trioctahedral Ni(II)Mn(II)Ni(II) and Ni(II)Fe(III)Ni(II) complexes with the same 1-5/2-1 spin system.
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Chem Commun (Camb)
|
2006
|
0.75
|
|
40
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Reactivity of a phosphinito-bridged PtI-PtI complex with nucleophiles: substitution versus addition.
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Inorg Chem
|
2008
|
0.75
|
|
41
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Synthesis, structures, and magnetic properties of face-sharing heterodinuclear Ni(II)-Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.
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Inorg Chem
|
2008
|
0.75
|
|
42
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IRMPD spectroscopy of protonated S-nitrosocaptopril, a biologically active, synthetic amino acid.
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Phys Chem Chem Phys
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2010
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0.75
|
|
43
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Magnetic interactions in CuII-LnIII cyclic tetranuclear complexes: is it possible to explain the occurrence of SMM behavior in CuII-TbIII and CuII-DyIII complexes?
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Inorg Chem
|
2007
|
0.75
|
|
44
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Carbonato-bridged Ni(II)2Ln(III)2 (Ln(III) = Gd(III), Tb(III), Dy(III)) complexes generated by atmospheric CO2 fixation and their single-molecule-magnet behavior: [(μ4-CO3)2{Ni(II)(3-MeOsaltn)(MeOH or H2O)Ln(III)(NO3)}2]·solvent [3-MeOsaltn = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato].
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Inorg Chem
|
2013
|
0.75
|
|
45
|
Synthesis, structure, luminescent, and magnetic properties of carbonato-bridged Zn(II)2Ln(III)2 complexes [(μ4-CO3)2{Zn(II)L(n)Ln(III)(NO3)}2] (Ln(III) = Gd(III), Tb(III), Dy(III); L(1) = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L(2) = N,N'-bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato).
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Inorg Chem
|
2013
|
0.75
|
|
46
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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.
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J Phys Chem B
|
2015
|
0.75
|
|
47
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Hydrido phosphanido bridged polynuclear complexes obtained by protonation of a phosphinito bridged Pt(I) complex with HBF4 and HF.
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Inorg Chem
|
2011
|
0.75
|
|
48
|
Syntheses, structures, and magnetic properties of acetato- and diphenolato-bridged 3d-4f binuclear complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = Zn(II), Cu(II), Ni(II), Co(II); Ln = La(III), Gd(III), Tb(III), Dy(III); 3-MeOsaltn = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = acetato; hfac = hexafluoroacetylacetonato; x = 0 or 1).
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Inorg Chem
|
2013
|
0.75
|
|
49
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Estimation of the PPARα agonism of fibrates by a combined MM-docking approach.
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Methods Mol Biol
|
2013
|
0.75
|
|
50
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Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes.
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Phys Chem Chem Phys
|
2017
|
0.75
|
|
51
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A 2D layered spin crossover complex constructed by NH...Cl- hydrogen bonds: [FeIIH3LMe]Cl.I3 (H3LMe = tris[2-(((2-methylimidazoyl-4-yl)methylidene)amino)ethyl]amine.
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Inorg Chem
|
2005
|
0.75
|
|
52
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A variety of spin-crossover behaviors depending on the counter anion: two-dimensional complexes constructed by NH...Cl- hydrogen bonds, [FeIIH3LMe]Cl.X (X = PF6 -, AsF6 -, SbF6 -, CF3SO3 -; H3L(Me) = Tris[2-{[(2-methylimidazol-4-yl)methylidene]amino}ethyl]amine).
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Chemistry
|
2006
|
0.75
|
|
53
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Stereoselectivity by enantiomeric inhibitors of matrix metalloproteinase-8: new insights from molecular dynamics simulations.
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J Med Chem
|
2007
|
0.75
|