These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

169 related articles for article (PubMed ID: 36995564)

  • 1. Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force field.
    Santos TMR; Tavares CA; Pereira AF; da Cunha EFF; Ramalho TC
    J Mol Model; 2023 Mar; 29(4):123. PubMed ID: 36995564
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular Dynamics-Assisted Interaction of Vanadium Complex-AMPK: From Force Field Development to Biological Application for Alzheimer's Treatment.
    Tavares CA; Santos TMR; da Cunha EFF; Ramalho TC
    J Phys Chem B; 2023 Jan; 127(2):495-504. PubMed ID: 36603208
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.
    Li X; Hassan SA; Mehler EL
    Proteins; 2005 Aug; 60(3):464-84. PubMed ID: 15959866
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in.
    Ditzler MA; Otyepka M; Sponer J; Walter NG
    Acc Chem Res; 2010 Jan; 43(1):40-7. PubMed ID: 19754142
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
    Foffi G; Pastore A; Piazza F; Temussi PA
    Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Vanadium and cancer treatment: antitumoral mechanisms of three oxidovanadium(IV) complexes on a human osteosarcoma cell line.
    León IE; Butenko N; Di Virgilio AL; Muglia CI; Baran EJ; Cavaco I; Etcheverry SB
    J Inorg Biochem; 2014 May; 134():106-17. PubMed ID: 24199985
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Novel water soluble neutral vanadium(IV)-antibiotic complex: Antioxidant, immunomodulatory and molecular docking studies.
    Datta C; Das D; Mondal P; Chakraborty B; Sengupta M; Bhattacharjee CR
    Eur J Med Chem; 2015 Jun; 97():214-24. PubMed ID: 25982330
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A Vanadium(V) complexes derived from pyridoxal/salicylaldehyde. Interaction with CT-DNA/HSA, and molecular docking assessments.
    Fioravanço LP; Pôrto JB; Martins FM; Siqueira JD; Iglesias BA; Rodrigues BM; Chaves OA; Back DF
    J Inorg Biochem; 2023 Feb; 239():112070. PubMed ID: 36450221
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Experimental verification of force fields for molecular dynamics simulations using Gly-Pro-Gly-Gly.
    Aliev AE; Courtier-Murias D
    J Phys Chem B; 2010 Sep; 114(38):12358-75. PubMed ID: 20825228
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Verification of DFT-predicted hydrogen storage capacity of VC3H3 complex using molecular dynamics simulations.
    Wadnerkar N; Kalamse V; Lee SL; Chaudhari A
    J Comput Chem; 2012 Jan; 33(2):170-4. PubMed ID: 21997892
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparative Assessment of Different RNA Tetranucleotides from the DFT-D3 and Force Field Perspective.
    Szabla R; Havrila M; Kruse H; Šponer J
    J Phys Chem B; 2016 Oct; 120(41):10635-10648. PubMed ID: 27681853
    [TBL] [Abstract][Full Text] [Related]  

  • 12. DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA.
    Cerón-Carrasco JP; Ruiz J; Vicente C; de Haro C; Bautista D; Zúñiga J; Requena A
    J Chem Theory Comput; 2017 Aug; 13(8):3898-3910. PubMed ID: 28641006
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Elucidation of Binding Site and Chiral Specificity of Oxidovanadium Drugs with Lysozyme through Theoretical Calculations.
    Sciortino G; Sanna D; Ugone V; Micera G; Lledós A; Maréchal JD; Garribba E
    Inorg Chem; 2017 Nov; 56(21):12938-12951. PubMed ID: 28985059
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A theoretical investigation of inositol 1,3,4,5-tetrakisphosphate.
    Rosen SA; Gaffney PR; Gould IR
    Phys Chem Chem Phys; 2011 Jan; 13(3):1070-81. PubMed ID: 21076747
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field.
    Lin FY; Huang J; Pandey P; Rupakheti C; Li J; Roux BT; MacKerell AD
    J Chem Theory Comput; 2020 May; 16(5):3221-3239. PubMed ID: 32282198
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Biological potential of oxo-vanadium salicylediene amino-acid complexes as cytotoxic, antimicrobial, antioxidant and DNA interaction.
    Adam MSS; Elsawy H
    J Photochem Photobiol B; 2018 Jul; 184():34-43. PubMed ID: 29778887
    [TBL] [Abstract][Full Text] [Related]  

  • 17. New-generation amber united-atom force field.
    Yang L; Tan CH; Hsieh MJ; Wang J; Duan Y; Cieplak P; Caldwell J; Kollman PA; Luo R
    J Phys Chem B; 2006 Jul; 110(26):13166-76. PubMed ID: 16805629
    [TBL] [Abstract][Full Text] [Related]  

  • 18. In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulations.
    Rezvani S; Ebadi A; Razzaghi-Asl N
    J Biomol Struct Dyn; 2022; 40(21):10665-10676. PubMed ID: 34286666
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Oxidovanadium(IV) Complex Disrupts Mitochondrial Membrane Potential and Induces Apoptosis in Pancreatic Cancer Cells.
    Kowalski S; Tesmar A; Sikorski A; Inkielewicz-Stępniak I
    Anticancer Agents Med Chem; 2021; 21(1):71-83. PubMed ID: 32579508
    [TBL] [Abstract][Full Text] [Related]  

  • 20. QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods.
    Pokorná P; Kruse H; Krepl M; Šponer J
    J Chem Theory Comput; 2018 Oct; 14(10):5419-5433. PubMed ID: 30199638
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.