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 *

174 related articles for article (PubMed ID: 24628148)

  • 1. Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics.
    Bauer S; Tavan P; Mathias G
    J Chem Phys; 2014 Mar; 140(10):104103. PubMed ID: 24628148
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.
    Bauer S; Mathias G; Tavan P
    J Chem Phys; 2014 Mar; 140(10):104102. PubMed ID: 24628147
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Electrostatics of proteins in dielectric solvent continua. II. First applications in molecular dynamics simulations.
    Stork M; Tavan P
    J Chem Phys; 2007 Apr; 126(16):165106. PubMed ID: 17477638
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electrostatics of proteins in dielectric solvent continua. I. Newton's third law marries qE forces.
    Stork M; Tavan P
    J Chem Phys; 2007 Apr; 126(16):165105. PubMed ID: 17477637
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions.
    Lorenzen K; Mathias G; Tavan P
    J Chem Phys; 2015 Nov; 143(18):184114. PubMed ID: 26567653
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution.
    Egwolf B; Tavan P
    J Chem Phys; 2004 Jan; 120(4):2056-68. PubMed ID: 15268342
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
    Hassan SA; Mehler EL; Zhang D; Weinstein H
    Proteins; 2003 Apr; 51(1):109-25. PubMed ID: 12596268
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs.
    Zachmann M; Mathias G; Antes I
    Chemphyschem; 2015 Jun; 16(8):1739-49. PubMed ID: 25820235
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations.
    Schwörer M; Breitenfeld B; Tröster P; Bauer S; Lorenzen K; Tavan P; Mathias G
    J Chem Phys; 2013 Jun; 138(24):244103. PubMed ID: 23822223
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?
    Morreale A; de la Cruz X; Meyer T; Gelpí JL; Luque FJ; Orozco M
    Proteins; 2004 Nov; 57(3):458-67. PubMed ID: 15382247
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations.
    Schwörer M; Lorenzen K; Mathias G; Tavan P
    J Chem Phys; 2015 Mar; 142(10):104108. PubMed ID: 25770527
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The fast multipole method and point dipole moment polarizable force fields.
    Coles JP; Masella M
    J Chem Phys; 2015 Jan; 142(2):024109. PubMed ID: 25591340
    [TBL] [Abstract][Full Text] [Related]  

  • 13. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S; Mackerell AD; Brooks CL
    J Comput Chem; 2004 Sep; 25(12):1504-14. PubMed ID: 15224394
    [TBL] [Abstract][Full Text] [Related]  

  • 14. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U; Caflisch A
    J Comput Chem; 2008 Apr; 29(5):701-15. PubMed ID: 17918282
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.
    de Oliveira CA; Hamelberg D; McCammon JA
    J Chem Phys; 2007 Nov; 127(17):175105. PubMed ID: 17994855
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.
    Bonthuis DJ; Netz RR
    J Phys Chem B; 2013 Oct; 117(39):11397-413. PubMed ID: 24063251
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Incorporating receptor flexibility in the molecular design of protein interfaces.
    Li L; Liang S; Pilcher MM; Meroueh SO
    Protein Eng Des Sel; 2009 Sep; 22(9):575-86. PubMed ID: 19643976
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN; Almagro JC; Hermans J
    Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electrostatic free energy and its variations in implicit solvent models.
    Che J; Dzubiella J; Li B; McCammon JA
    J Phys Chem B; 2008 Mar; 112(10):3058-69. PubMed ID: 18275182
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The dependence of electrostatic solvation energy on dielectric constants in Poisson-Boltzmann calculations.
    Tjong H; Zhou HX
    J Chem Phys; 2006 Nov; 125(20):206101. PubMed ID: 17144745
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.