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 *

124 related articles for article (PubMed ID: 30407818)

  • 1. Brownian Dynamics Approach Including Explicit Atoms for Studying Ion Permeation and Substrate Translocation across Nanopores.
    Solano CJF; Prajapati JD; Pothula KR; Kleinekathöfer U
    J Chem Theory Comput; 2018 Dec; 14(12):6701-6713. PubMed ID: 30407818
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Millisecond-Long Simulations of Antibiotics Transport through Outer Membrane Channels.
    Golla VK; Prajapati JD; Kleinekathöfer U
    J Chem Theory Comput; 2021 Jan; 17(1):549-559. PubMed ID: 33378186
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Enrofloxacin Permeation Pathways across the Porin OmpC.
    Prajapati JD; Solano CJF; Winterhalter M; Kleinekathöfer U
    J Phys Chem B; 2018 Feb; 122(4):1417-1426. PubMed ID: 29307192
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Characterization of Ciprofloxacin Permeation Pathways across the Porin OmpC Using Metadynamics and a String Method.
    Prajapati JD; Fernández Solano CJ; Winterhalter M; Kleinekathöfer U
    J Chem Theory Comput; 2017 Sep; 13(9):4553-4566. PubMed ID: 28816443
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Improved Sampling and Free Energy Estimates for Antibiotic Permeation through Bacterial Porins.
    Acharya A; Prajapati JD; Kleinekathöfer U
    J Chem Theory Comput; 2021 Jul; 17(7):4564-4577. PubMed ID: 34138557
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Diffusive dynamics of DNA unzipping in a nanopore.
    Stachiewicz A; Molski A
    J Comput Chem; 2016 Feb; 37(5):467-76. PubMed ID: 26519865
    [TBL] [Abstract][Full Text] [Related]  

  • 7. BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores.
    De Biase PM; Solano CJ; Markosyan S; Czapla L; Noskov SY
    J Chem Theory Comput; 2012 Jul; 8(7):2540-2551. PubMed ID: 22798730
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Optimization of the molecular dynamics method for simulations of DNA and ion transport through biological nanopores.
    Wells DB; Bhattacharya S; Carr R; Maffeo C; Ho A; Comer J; Aksimentiev A
    Methods Mol Biol; 2012; 870():165-86. PubMed ID: 22528264
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.
    Im W; Roux B
    J Mol Biol; 2002 Sep; 322(4):851-69. PubMed ID: 12270719
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Bridging timescales and length scales: from macroscopic flux to the molecular mechanism of antibiotic diffusion through porins.
    Hajjar E; Mahendran KR; Kumar A; Bessonov A; Petrescu M; Weingart H; Ruggerone P; Winterhalter M; Ceccarelli M
    Biophys J; 2010 Feb; 98(4):569-75. PubMed ID: 20159153
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Fosfomycin Permeation through the Outer Membrane Porin OmpF.
    Golla VK; Sans-Serramitjana E; Pothula KR; Benier L; Bafna JA; Winterhalter M; Kleinekathöfer U
    Biophys J; 2019 Jan; 116(2):258-269. PubMed ID: 30616836
    [TBL] [Abstract][Full Text] [Related]  

  • 12. BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms.
    Solano CJ; Pothula KR; Prajapati JD; De Biase PM; Noskov SY; Kleinekathöfer U
    J Chem Theory Comput; 2016 May; 12(5):2401-17. PubMed ID: 27088446
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dynamic interaction of fluoroquinolones with magnesium ions monitored using bacterial outer membrane nanopores.
    Wang J; Prajapati JD; Kleinekathöfer U; Winterhalter M
    Chem Sci; 2020 Aug; 11(38):10344-10353. PubMed ID: 34094296
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution.
    Im W; Roux B
    J Mol Biol; 2002 Jun; 319(5):1177-97. PubMed ID: 12079356
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
    Im W; Seefeld S; Roux B
    Biophys J; 2000 Aug; 79(2):788-801. PubMed ID: 10920012
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations.
    Kumar A; Hajjar E; Ruggerone P; Ceccarelli M
    J Phys Condens Matter; 2010 Nov; 22(45):454125. PubMed ID: 21339612
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Brownian dynamics simulation of ion flow through porin channels.
    Schirmer T; Phale PS
    J Mol Biol; 1999 Dec; 294(5):1159-67. PubMed ID: 10600374
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling.
    Golla VK; Prajapati JD; Joshi M; Kleinekathöfer U
    J Chem Theory Comput; 2020 Apr; 16(4):2751-2765. PubMed ID: 32167296
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials.
    De Biase PM; Markosyan S; Noskov S
    J Comput Chem; 2014 Apr; 35(9):711-21. PubMed ID: 24738152
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The translocation kinetics of antibiotics through porin OmpC: insights from structure-based solvation mapping using WaterMap.
    Tran QT; Williams S; Farid R; Erdemli G; Pearlstein R
    Proteins; 2013 Feb; 81(2):291-9. PubMed ID: 23011778
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.