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 *

97 related articles for article (PubMed ID: 30896293)

  • 21. Exploring Reactive Conformations of Coenzyme A during Binding and Unbinding to Pyruvate Formate-Lyase.
    Hanževački M; Banhatti RD; Čondić-Jurkić K; Smith AS; Smith DM
    J Phys Chem A; 2019 Oct; 123(43):9345-9356. PubMed ID: 31580071
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations.
    C S V; Tamizhselvi R; Munusami P
    J Biomol Struct Dyn; 2019 Jul; 37(10):2608-2626. PubMed ID: 30051758
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Molecular dynamics and high throughput binding free energy calculation of anti-actin anticancer drugs-New insights for better design.
    L R; R PK; M M SM
    Comput Biol Chem; 2016 Oct; 64():47-55. PubMed ID: 27244087
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations.
    Wang D; Jin H; Wang J; Guan S; Zhang Z; Han W
    J Biomol Struct Dyn; 2016; 34(4):749-61. PubMed ID: 26155973
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Molecular dynamics simulation of G-actin interacting with PAMAM dendrimers.
    Shen ZL; Tian WD; Chen K; Ma YQ
    J Mol Graph Model; 2018 Sep; 84():145-151. PubMed ID: 29975865
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Investigating a back door mechanism of actin phosphate release by steered molecular dynamics.
    Wriggers W; Schulten K
    Proteins; 1999 May; 35(2):262-73. PubMed ID: 10223297
    [TBL] [Abstract][Full Text] [Related]  

  • 27. STAT3-independent inhibition of lysophosphatidic acid-mediated upregulation of connective tissue growth factor (CTGF) by cucurbitacin I.
    Graness A; Poli V; Goppelt-Struebe M
    Biochem Pharmacol; 2006 Jun; 72(1):32-41. PubMed ID: 16707113
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Docking and molecular dynamics studies of the binding between Peloruside A and tubulin.
    Liao SY; Mo GQ; Chen JC; Zheng KC
    J Enzyme Inhib Med Chem; 2014 Oct; 29(5):702-9. PubMed ID: 24156744
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis.
    Saravanan K; Sivanandam M; Hunday G; Mathiyalagan L; Kumaradhas P
    J Biomol Struct Dyn; 2019 Jun; 37(9):2339-2354. PubMed ID: 30044206
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A New Method for Navigating Optimal Direction for Pulling Ligand from Binding Pocket: Application to Ranking Binding Affinity by Steered Molecular Dynamics.
    Vuong QV; Nguyen TT; Li MS
    J Chem Inf Model; 2015 Dec; 55(12):2731-8. PubMed ID: 26595261
    [TBL] [Abstract][Full Text] [Related]  

  • 31. In silico investigations on the binding efficacy and allosteric mechanism of six different natural product compounds towards PTP1B inhibition through docking and molecular dynamics simulations.
    SarathKumar B; Lakshmi BS
    J Mol Model; 2019 Aug; 25(9):272. PubMed ID: 31451955
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Exploring the free-energy landscapes of biological systems with steered molecular dynamics.
    Chen LY
    Phys Chem Chem Phys; 2011 Apr; 13(13):6176-83. PubMed ID: 21359274
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Novel insights into the dynamics behavior of glucagon-like peptide-1 receptor with its small molecule agonists.
    Girdhar K; Dehury B; Kumar Singh M; Daniel VP; Choubey A; Dogra S; Kumar S; Mondal P
    J Biomol Struct Dyn; 2019 Sep; 37(15):3976-3986. PubMed ID: 30296922
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Molecular dynamics study of interactions between polymorphic actin filaments and gelsolin segment-1.
    Lee M; Kang EH
    Proteins; 2020 Feb; 88(2):385-392. PubMed ID: 31498927
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Molecular Dynamics Simulation Reveal the Mechanism of Resistance of Mutant Actins to Latrunculin A - Insight into Specific Modifications to Design Novel Drugs to Overcome Resistance.
    Lalitha R; R PK; Mohammed MM
    Curr Comput Aided Drug Des; 2016; 12(2):107-18. PubMed ID: 27484118
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics.
    Sun R; Sode O; Dama JF; Voth GA
    J Chem Theory Comput; 2017 May; 13(5):2332-2341. PubMed ID: 28345907
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A Self-Adaptive Steered Molecular Dynamics Method Based on Minimization of Stretching Force Reveals the Binding Affinity of Protein-Ligand Complexes.
    Gu J; Li H; Wang X
    Molecules; 2015 Oct; 20(10):19236-51. PubMed ID: 26506335
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Blocking the passage: C60 geometrically clogs K(+) channels.
    Calvaresi M; Furini S; Domene C; Bottoni A; Zerbetto F
    ACS Nano; 2015 May; 9(5):4827-34. PubMed ID: 25873341
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Unravelling the binding affinity between model transport protein and a prospective tuberculosis therapeutic agent: a spectroscopic and theoretical simulation exploration.
    Wang L; Zhang L; Feng RR; Dong X; Lu HZ; Zhang JJ
    J Biomol Struct Dyn; 2019 Oct; 37(17):4507-4521. PubMed ID: 30663540
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Free energy predictions of ligand binding to an α-helix using steered molecular dynamics and umbrella sampling simulations.
    Marzinek JK; Bond PJ; Lian G; Zhao Y; Han L; Noro MG; Pistikopoulos EN; Mantalaris A
    J Chem Inf Model; 2014 Jul; 54(7):2093-104. PubMed ID: 25003283
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 5.