Found: 66
Select item for more details and to access through your institution.
FISTULA URETEROARTERIAL POR ANEURISMA DE ARTERIA RENAL. UNA COMPLICACIÓN INUSUAL DE UNA ENFERMEDAD POCO PREVALENTE.
- Published in:
- Archivos Españoles de Urología, 2017, v. 70, n. 8, p. 736
- By:
- Publication type:
- Article
“SELECTIVE EMBOLIZATION OF RENAL ARTERY PSEUDOANEURYSM AFTER PARTIAL NEPHRECTOMY IN A SINGLE KIDNEY PATIENT".
- Published in:
- Archivos Españoles de Urología, 2016, v. 69, n. 9, p. 667
- By:
- Publication type:
- Article
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies.
- Published in:
- Molecules, 2022, v. 27, n. 23, p. 8288, doi. 10.3390/molecules27238288
- By:
- Publication type:
- Article
In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes.
- Published in:
- Molecules, 2022, v. 27, n. 19, p. 6548, doi. 10.3390/molecules27196548
- By:
- Publication type:
- Article
N -((1 H -Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations.
- Published in:
- Molecules, 2022, v. 27, n. 4, p. 1436, doi. 10.3390/molecules27041436
- By:
- Publication type:
- Article
Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy.
- Published in:
- Molecules, 2021, v. 26, n. 22, p. 6863, doi. 10.3390/molecules26226863
- By:
- Publication type:
- Article
Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation
- Published in:
- Molecules, 2021, v. 26, n. 9, p. 2722, doi. 10.3390/molecules26092722
- By:
- Publication type:
- Article
Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3 H)-Quinazolinone-Derived Schiff Base.
- Published in:
- Molecules, 2020, v. 25, n. 24, p. 5973, doi. 10.3390/molecules25245973
- By:
- Publication type:
- Article
Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A–H.
- Published in:
- Molecules, 2020, v. 25, n. 18, p. 4158, doi. 10.3390/molecules25184158
- By:
- Publication type:
- Article
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs.
- Published in:
- Molecules, 2019, v. 24, n. 18, p. 3312, doi. 10.3390/molecules24183312
- By:
- Publication type:
- Article
CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides.
- Published in:
- Molecules, 2019, v. 24, n. 15, p. 2707, doi. 10.3390/molecules24152707
- By:
- Publication type:
- Article
Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin.
- Published in:
- Molecules, 2019, v. 24, n. 6, p. 1115, doi. 10.3390/molecules24061115
- By:
- Publication type:
- Article
Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT.
- Published in:
- Molecules, 2018, v. 23, n. 3, p. 559, doi. 10.3390/molecules23030559
- By:
- Publication type:
- Article
Computational Prediction of the Protonation Sites of Ac-Lys-(Ala)n-Lys-NH2 Peptides through Conceptual DFT Descriptors.
- Published in:
- Molecules, 2017, v. 22, n. 3, p. 458, doi. 10.3390/molecules22030458
- By:
- Publication type:
- Article
Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.
- Published in:
- Molecules, 2017, v. 22, n. 2, p. 226, doi. 10.3390/molecules22020226
- By:
- Publication type:
- Article
A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol.
- Published in:
- Molecules, 2016, v. 21, n. 12, p. 1650, doi. 10.3390/molecules21121650
- By:
- Publication type:
- Article
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides.
- Published in:
- ChemistryOpen, 2021, v. 10, n. 11, p. 1142, doi. 10.1002/open.202100178
- By:
- Publication type:
- Article
Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 18, p. N.PAG, doi. 10.3390/ijms231810621
- By:
- Publication type:
- Article
Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition.
- Published in:
- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 7, p. 667, doi. 10.1007/s10822-015-9853-4
- By:
- Publication type:
- Article
Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 739, doi. 10.1007/s10822-013-9674-2
- By:
- Publication type:
- Article
Theoretical Study of the Alkaline Hydrolysis of Tricyclic Carbapenem.
- Published in:
- Helvetica Chimica Acta, 2005, v. 88, n. 4, p. 774
- By:
- Publication type:
- Article
Kinetic and Molecular-Modelling Study of the Interaction between Staphylococcus aureus PC1 Enzyme and Imipenem.
- Published in:
- Helvetica Chimica Acta, 2001, v. 84, n. 11, p. 3366, doi. 10.1002/1522-2675(20011114)84:11<3366::AID-HLCA3366>3.0.CO;2-T
- By:
- Publication type:
- Article
Kinetic and Molecular-Modelling Studies of Reactions of a Class-A β-Lactamase with Compounds Bearing a Methoxy Group on the β-Lactam Ring.
- Published in:
- Helvetica Chimica Acta, 1999, v. 82, n. 8, p. 1274, doi. 10.1002/(SICI)1522-2675(19990804)82:8<1274::AID-HLCA1274>3.0.CO;2-R
- By:
- Publication type:
- Article
Study of the Alkaline Hydrolysis of the Azetidin-2-one Ring by ab initio Methods: Influence of the solvent.
- Published in:
- Helvetica Chimica Acta, 1997, v. 80, n. 3, p. 739, doi. 10.1002/hlca.19970800311
- By:
- Publication type:
- Article
Theoretical Calculations of β-Lactam Antibiotics. Part VII. Influence of the solvent on the basic hydrolysis of the β-lactam ring.
- Published in:
- Helvetica Chimica Acta, 1996, v. 79, n. 2, p. 353, doi. 10.1002/hlca.19960790204
- By:
- Publication type:
- Article
Theoretical Calculations of β-Lactam Antibiotics. Part VI. AM1 calculations of alkaline hydrolysis of clavulanic acid.
- Published in:
- Helvetica Chimica Acta, 1994, v. 77, n. 6, p. 1557, doi. 10.1002/hlca.19940770611
- By:
- Publication type:
- Article
A conceptual DFT study of the molecular properties of glycating carbonyl compounds.
- Published in:
- Chemistry Central Journal, 2017, v. 11, n. 1, p. 1, doi. 10.1186/s13065-017-0239-7
- By:
- Publication type:
- Article
Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies.
- Published in:
- PLoS ONE, 2022, v. 17, n. 10, p. 1, doi. 10.1371/journal.pone.0275432
- By:
- Publication type:
- Article
A density functional theory study of the free‐radical scavenging activity of aminoguanidine. Comparison with its reactive carbonyl compound and metal scavenging activities.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 13, p. N.PAG, doi. 10.1002/qua.25911
- By:
- Publication type:
- Article
Theoretical p K<sub>a</sub> calculations with continuum model solvents, alternative protocols to thermodynamic cycles.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 20, p. 1350, doi. 10.1002/qua.24699
- By:
- Publication type:
- Article
Impact of the ionic forms on the UV–Vis spectra 2-hydroxybenzylamine. A TD-DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2179, doi. 10.1002/qua.22696
- By:
- Publication type:
- Article
Simplification of the CBS-QB3 method for predicting gas-phase deprotonation free energies.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 2, p. 323, doi. 10.1002/qua.22170
- By:
- Publication type:
- Article
A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide.
- Published in:
- Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/2989611
- By:
- Publication type:
- Article
LA LITERATURA COMPARADA, UNA DISCIPLINA HOSPITALARIA. INTRODUCCIÓN A LA LITERATURA COMPARADA.
- Published in:
- Signa, 2023, n. 32, p. 679, doi. 10.5944/signa.vol32.2023.32964
- By:
- Publication type:
- Article
Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2244-x
- By:
- Publication type:
- Article
Computational prediction of the preferred glycation sites of model helical peptides derived from human serum albumin (HSA) and lysozyme helix 4 (LH4).
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 4, p. 1, doi. 10.1007/s00214-017-2070-6
- By:
- Publication type:
- Article
Scavenger mechanism of methylglyoxal by metformin. A DFT study.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 4, p. 1, doi. 10.1007/s00214-015-1649-z
- By:
- Publication type:
- Article
Isodesmic reaction for p K calculations of common organic molecules.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 2, p. 1, doi. 10.1007/s00214-012-1310-z
- By:
- Publication type:
- Article
Avoiding gas-phase calculations in theoretical p K predictions.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 1, p. 1, doi. 10.1007/s00214-011-0945-5
- By:
- Publication type:
- Article
Evolution of class C β-lactamases: factors influencing their hydrolysis and recognition mechanisms.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 209, doi. 10.1007/s00214-008-0463-2
- By:
- Publication type:
- Article
Chemical Reactivity Properties, Solubilities, and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors.
- Published in:
- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/9624108
- By:
- Publication type:
- Article
Glycation of α-synuclein hampers its binding to synaptic-like vesicles and its driving effect on their fusion.
- Published in:
- Cellular & Molecular Life Sciences, 2022, v. 79, n. 6, p. 1, doi. 10.1007/s00018-022-04373-4
- By:
- Publication type:
- Article
Role of β-lactam carboxyl group on binding of penicillins and cephalosporins to class C β-lactamases.
- Published in:
- Proteins, 2003, v. 51, n. 3, p. 442, doi. 10.1002/prot.10358
- By:
- Publication type:
- Article
Local Molecular Reactivity of the Colored Dansylglycine in Water and Dioxane Studied through Conceptual DFT.
- Published in:
- Journal of Chemistry, 2018, p. 1, doi. 10.1155/2018/3172412
- By:
- Publication type:
- Article
Investigating the Chemical Reactivity of Kahalalides: A Promising Source of Therapeutic Peptides from Marine Natural Products Using Conceptual Density Functional Theory.
- Published in:
- ChemistrySelect, 2023, v. 8, n. 42, p. 1, doi. 10.1002/slct.202303207
- By:
- Publication type:
- Article
Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-28772-0
- By:
- Publication type:
- Article
Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-22038-x
- By:
- Publication type:
- Article
Theoretical studies on transimination of vitamin B6 analogs.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 89, n. 1, p. 48, doi. 10.1002/qua.10188
- By:
- Publication type:
- Article
Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-021-04513-z
- By:
- Publication type:
- Article
"Quatre francs par semaine!": el dinero como motor y motivo en el folletín decimonónico.
- Published in:
- Belphégor, 2020, v. 18, n. 2, p. 1, doi. 10.4000/belphegor.2961
- By:
- Publication type:
- Article