# | Title | Journal | Year | Citations |
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1 | Target Flexibility: An Emerging Consideration in Drug Discovery and Design | Journal of Medicinal Chemistry | 2008 | 280 |
2 | Reuse of ground waste glass as aggregate for mortars | Waste Management | 2005 | 201 |
3 | Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 1. Models without Explicit Constrained Water | Journal of Medicinal Chemistry | 2002 | 131 |
4 | Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 3. The Free Energy Contribution of Structural Water Molecules in HIV-1 Protease Complexes | Journal of Medicinal Chemistry | 2004 | 112 |
5 | Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molecules by Computational Methods | Current Medicinal Chemistry | 2004 | 89 |
6 | Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling | Current Topics in Medicinal Chemistry | 2011 | 86 |
7 | Mapping the Energetics of Water–Protein and Water–Ligand Interactions with the “Natural” HINT Forcefield: Predictive Tools for Characterizing the Roles of Water in Biomolecules | Journal of Molecular Biology | 2006 | 85 |
8 | Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 2. Computational Titration and pH Effects in Molecular Models of Neuraminidase−Inhibitor Complexes | Journal of Medicinal Chemistry | 2003 | 77 |
9 | The consequences of scoring docked ligand conformations using free energy correlations | European Journal of Medicinal Chemistry | 2007 | 58 |
10 | Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif | PLoS ONE | 2011 | 57 |
11 | New Single‐Molecule Magnets by Site‐Specific Substitution: Incorporation of “Alligator Clips” into Fe4 Complexes | European Journal of Inorganic Chemistry | 2007 | 50 |
12 | Distinctive Glycerophospholipid Profiles of Human Seminoma and Adjacent Normal Tissues by Desorption Electrospray Ionization Imaging Mass Spectrometry | Journal of the American Society for Mass Spectrometry | 2011 | 49 |
13 | Ion chromatography with inductively coupled plasma mass spectrometry, a powerful analytical tool for complex matrices | Journal of Chromatography A | 2003 | 45 |
14 | Zinc(II) complexes with dithiocarbamato derivatives: Structural characterisation and biological assays on cancerous cell lines | Journal of Inorganic Biochemistry | 2012 | 41 |
15 | Electrochemical activity of thiahelicenes: Structure effects and electrooligomerization ability | Electrochimica Acta | 2009 | 39 |
16 | Synthesis and application of ortho-palladated complex of (4-phenylbenzoylmethylene)triphenylphosphorane as a highly active catalyst in the Suzuki cross-coupling reaction | Journal of Organometallic Chemistry | 2011 | 39 |
17 | Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase | Biochimica Et Biophysica Acta - Proteins and Proteomics | 2013 | 35 |
18 | Stable isotope analyses of mammal skeletal remains of Holocene age from European Russia: A way to trace dietary and environmental changes | Geobios | 2004 | 33 |
19 | On-line preconcentration, ion chromatographic separation and spectrophotometric determination of palladium at trace level | Journal of Chromatography A | 2003 | 32 |
20 | Getting it right: modeling of pH, solvent and “nearly” everything else in virtual screening of biological targets | Journal of Molecular Graphics and Modelling | 2004 | 32 |
21 | Synthesis, X-ray crystal structures and characterization of copper(II)-2,2′-bipyridyl derivatives of (4-amino)-hippuric acid and of l-proline | Polyhedron | 1999 | 31 |
22 | Ru/MgO Sol-Gel Prepared Catalysts for Ammonia Synthesis | Catalysis Letters | 2002 | 30 |
23 | Oxidative dehydrogenation of propane on pure and silica-dispersed multimetallic oxides based on vanadium and niobium prepared via hydrolytic and non-hydrolytic sol–gel methods | Catalysis Today | 2003 | 30 |
24 | Mycotoxin Detection Plays “Cops and Robbers”: Cyclodextrin Chemosensors as Specialized Police? | International Journal of Molecular Sciences | 2008 | 28 |
25 | Phase- and Stage-Related Proportions of T Cells Bearing the Transcription Factor FOXP3 Infiltrate Primary Melanoma | Journal of Investigative Dermatology | 2008 | 27 |
26 | The Role of Building‐Block Metrics in the Halogen‐Bonding‐Driven Self‐Assembly of Calixarenes, Inorganic Salts and Diiodoperfluoroalkanes | Chemistry - A European Journal | 2009 | 27 |
27 | Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies | Dalton Transactions | 2011 | 27 |
28 | Ruthenium(II/III)‐Based Compounds with Encouraging Antiproliferative Activity against Non‐small‐Cell Lung Cancer | Chemistry - A European Journal | 2012 | 27 |
29 | Synthesis, structural, Continuous Shape Measure and bond valence sum characterization of bismuth(III) complexes of substituted dithiocarbamates and their solvothermal decomposition | Inorganica Chimica Acta | 2014 | 27 |
30 | Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates | Inorganica Chimica Acta | 2013 | 25 |
31 | Nanothallium(III) sulfide from dithiocarbamate precursors: Synthesis, single crystal X-ray structures and characterization | Polyhedron | 2013 | 23 |
32 | Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit | Biochimica Et Biophysica Acta - Proteins and Proteomics | 2006 | 22 |
33 | Solvothermal preparation of nano-β-HgS from a precursor, bis(dibenzyldithiocarbamato)mercury(II) | Journal of Nanoparticle Research | 2012 | 21 |
34 | Novel allosteric effectors of the tryptophan synthase α2β2 complex identified by computer-assisted molecular modeling | BBA - Proteins and Proteomics | 2000 | 20 |
35 | Synthesis, NMR and single crystal X-ray structural studies on planar NiS4 and NiS2PN chromophores: Steric and electronic effects | Polyhedron | 2012 | 20 |
36 | Continuous Shape Measure of electronic effect free steric distortions in tris(dithiocarbamato)indium(III): Synthesis, spectral, electrochemical, single crystal X-ray structural investigations and BVS calculations on tris(dithiocarbamato)indium(III) complexes | Polyhedron | 2014 | 19 |
37 | Orthopalladation of phosphorus ylides in endo position with bidentate ligands | Polyhedron | 2011 | 18 |
38 | Preliminary chemico-biological studies on Ru(III) compounds with S-methyl pyrrolidine/dimethyl dithiocarbamate | Journal of Inorganic Biochemistry | 2009 | 17 |
39 | How Computational Methods Try to Disclose the Estrogen Receptor Secrecy - Modeling the Flexibility | Current Medicinal Chemistry | 2009 | 15 |
40 | Synthesis, spectral, thermal and BVS investigations on ZnS4N^N/N coordination environment: Single crystal X-ray structures of bis(dibenzyldithiocarbamato)(N^N)Zinc(II) complexes (N^N=1,10-phenanthroline, tetramethylethylenediamine and 4,4′-bipyridine) | Polyhedron | 2010 | 15 |
41 | Metal dithiocarbamate precursors for the preparation of a binary sulfide and a pyrochlore: Synthesis, structure, continuous shape measure and bond valence sum analysis of antimony(III) dithiocarbamates | Polyhedron | 2015 | 15 |
42 | Mono and trivalent thallium–sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)–cyclohexylpiperazine dithiocarbamates | New Journal of Chemistry | 2016 | 14 |
43 | HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands | Bioorganic and Medicinal Chemistry Letters | 2000 | 13 |
44 | Water: How to evaluate its contribution in protein-ligand interactions | International Journal of Quantum Chemistry | 2006 | 12 |
45 | Is it possible docking and scoring new ligands with few experimental data? Preliminary results on estrogen receptor as a case study | European Journal of Medicinal Chemistry | 2004 | 11 |
46 | Complexity in Modeling and Understanding Protonation States: Computational Titration of HIV‐1‐Protease–Inhibitor Complexes | Chemistry and Biodiversity | 2007 | 10 |
47 | Unusual condensation of ethylene glycol with coordinated 1,10-phenanthroline-5,6-dione in [Ru(phen-dione)2Cl2] and its cyclometallated complex, [Ru(phpy-κ2N,C2′)(phen-diox)2](PF6) | Polyhedron | 2012 | 9 |
48 | Multidimensional detection methods for separations and their application in food analysis | TrAC - Trends in Analytical Chemistry | 1996 | 8 |
49 | Catalytic activity of some palladium complexes of a phosphorus ylide and the structure of a 2-phenylaniline-based palladacycle complex | Polyhedron | 2013 | 8 |
50 | Synthesis and characterization of 2-phenylaniline cyclopalladated complexes | Transition Metal Chemistry | 2011 | 7 |