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 *

176 related articles for article (PubMed ID: 32171215)

  • 21. Adaptive time stepping in biomolecular dynamics.
    Franklin J; Doniach S
    J Chem Phys; 2005 Sep; 123(12):124909. PubMed ID: 16392529
    [TBL] [Abstract][Full Text] [Related]  

  • 22. A path-integral Langevin equation treatment of low-temperature doped helium clusters.
    Ing C; Hinsen K; Yang J; Zeng T; Li H; Roy PN
    J Chem Phys; 2012 Jun; 136(22):224309. PubMed ID: 22713049
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics.
    Mouhat F; Sorella S; Vuilleumier R; Saitta AM; Casula M
    J Chem Theory Comput; 2017 Jun; 13(6):2400-2417. PubMed ID: 28441484
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Path integral Liouville dynamics for thermal equilibrium systems.
    Liu J
    J Chem Phys; 2014 Jun; 140(22):224107. PubMed ID: 24929374
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.
    Richardson JO; Althorpe SC
    J Chem Phys; 2009 Dec; 131(21):214106. PubMed ID: 19968336
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water.
    Habershon S; Fanourgakis GS; Manolopoulos DE
    J Chem Phys; 2008 Aug; 129(7):074501. PubMed ID: 19044777
    [TBL] [Abstract][Full Text] [Related]  

  • 27. An efficient ring polymer contraction scheme for imaginary time path integral simulations.
    Markland TE; Manolopoulos DE
    J Chem Phys; 2008 Jul; 129(2):024105. PubMed ID: 18624514
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Erratum: Preparation of Poly(pentafluorophenyl acrylate) Functionalized SiO2 Beads for Protein Purification.
    J Vis Exp; 2019 Apr; (146):. PubMed ID: 31038480
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Exact ground state Monte Carlo method for Bosons without importance sampling.
    Rossi M; Nava M; Reatto L; Galli DE
    J Chem Phys; 2009 Oct; 131(15):154108. PubMed ID: 20568848
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A comparative study of imaginary time path integral based methods for quantum dynamics.
    Hone TD; Rossky PJ; Voth GA
    J Chem Phys; 2006 Apr; 124(15):154103. PubMed ID: 16674214
    [TBL] [Abstract][Full Text] [Related]  

  • 31. On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy.
    Witt A; Ivanov SD; Shiga M; Forbert H; Marx D
    J Chem Phys; 2009 May; 130(19):194510. PubMed ID: 19466846
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory.
    Hele TJ; Althorpe SC
    J Chem Phys; 2013 Feb; 138(8):084108. PubMed ID: 23464141
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Efficient methods for including quantum effects in Monte Carlo calculations of large systems: extension of the displaced points path integral method and other effective potential methods to calculate properties and distributions.
    Mielke SL; Dinpajooh M; Siepmann JI; Truhlar DG
    J Chem Phys; 2013 Jan; 138(1):014110. PubMed ID: 23298031
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Can quantum transition state theory be defined as an exact t = 0+ limit?
    Jang S; Voth GA
    J Chem Phys; 2016 Feb; 144(8):084110. PubMed ID: 26931684
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Path integral evaluation of equilibrium isotope effects.
    Zimmermann T; Vanícek J
    J Chem Phys; 2009 Jul; 131(2):024111. PubMed ID: 19603974
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Non-uniqueness of quantum transition state theory and general dividing surfaces in the path integral space.
    Jang S; Voth GA
    J Chem Phys; 2017 May; 146(17):174106. PubMed ID: 28477603
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Nuclear quantum effects in the direct ionization process of pure helium clusters: path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces.
    Suzuki K; Miyazaki T; Takayanagi T; Shiga M
    Phys Chem Chem Phys; 2018 Nov; 20(41):26489-26499. PubMed ID: 30307016
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface.
    Meng Q; Chen J; Zhang DH
    J Chem Phys; 2015 Sep; 143(10):101102. PubMed ID: 26373990
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.
    Willatt MJ; Ceriotti M; Althorpe SC
    J Chem Phys; 2018 Mar; 148(10):102336. PubMed ID: 29544307
    [TBL] [Abstract][Full Text] [Related]  

  • 40. From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.
    Kreis K; Kremer K; Potestio R; Tuckerman ME
    J Chem Phys; 2017 Dec; 147(24):244104. PubMed ID: 29289131
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.