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 *

106 related articles for article (PubMed ID: 30901992)

  • 21. Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics.
    Wu X; Damjanovic A; Brooks BR
    Adv Chem Phys; 2012 Jan; 150():255-326. PubMed ID: 23913991
    [TBL] [Abstract][Full Text] [Related]  

  • 22. New Langevin and gradient thermostats for rigid body dynamics.
    Davidchack RL; Ouldridge TE; Tretyakov MV
    J Chem Phys; 2015 Apr; 142(14):144114. PubMed ID: 25877569
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. II. Canonical and isokinetic ensembles.
    Omelyan IP; Kovalenko A
    J Chem Phys; 2011 Dec; 135(23):234107. PubMed ID: 22191864
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Symplectic integration of learned Hamiltonian systems.
    Offen C; Ober-Blöbaum S
    Chaos; 2022 Jan; 32(1):013122. PubMed ID: 35105124
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration.
    Albaugh A; Tuckerman ME; Head-Gordon T
    J Chem Theory Comput; 2019 Apr; 15(4):2195-2205. PubMed ID: 30830768
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Equipartition Principle for Internal Coordinate Molecular Dynamics.
    Jain A; Park IH; Vaidehi N
    J Chem Theory Comput; 2012 Aug; 8(8):2581-2587. PubMed ID: 23341754
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Girsanov reweighting for path ensembles and Markov state models.
    Donati L; Hartmann C; Keller BG
    J Chem Phys; 2017 Jun; 146(24):244112. PubMed ID: 28668056
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Long timestep dynamics of peptides by the dynamics driver approach.
    Derreumaux P; Schlick T
    Proteins; 1995 Apr; 21(4):282-302. PubMed ID: 7567951
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Molecular dynamics integration and molecular vibrational theory. III. The infrared spectrum of water.
    Praprotnik M; Janezic D
    J Chem Phys; 2005 May; 122(17):174103. PubMed ID: 15910019
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A potential of mean force estimator based on nonequilibrium work exponential averages.
    Chelli R; Procacci P
    Phys Chem Chem Phys; 2009 Feb; 11(8):1152-8. PubMed ID: 19209357
    [TBL] [Abstract][Full Text] [Related]  

  • 31. MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition.
    Asthagiri DN; Beck TL
    J Chem Theory Comput; 2024 Jan; 20(1):368-374. PubMed ID: 38156881
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation.
    Jung J; Kobayashi C; Sugita Y
    J Chem Phys; 2018 Apr; 148(16):164109. PubMed ID: 29716226
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature.
    Moustafa SG; Schultz AJ; Kofke DA
    J Chem Phys; 2018 Sep; 149(12):124109. PubMed ID: 30278666
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Multirate method for co-simulation of electrical-chemical systems in multiscale modeling.
    Brocke E; Djurfeldt M; Bhalla US; Kotaleski JH; Hanke M
    J Comput Neurosci; 2017 Jun; 42(3):245-256. PubMed ID: 28389716
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Structure-preserving integrators for dissipative systems based on reversible- irreversible splitting.
    Shang X; Öttinger HC
    Proc Math Phys Eng Sci; 2020 Feb; 476(2234):20190446. PubMed ID: 32201474
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Classical infinite-range-interaction Heisenberg ferromagnetic model: metastability and sensitivity to initial conditions.
    Nobre FD; Tsallis C
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Sep; 68(3 Pt 2):036115. PubMed ID: 14524840
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Generalized Green's function molecular dynamics for canonical ensemble simulations.
    Coluci VR; Dantas SO; Tewary VK
    Phys Rev E; 2018 May; 97(5-1):053310. PubMed ID: 29906874
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Stability of molecular dynamics simulations of classical systems.
    Toxvaerd S
    J Chem Phys; 2012 Dec; 137(21):214102. PubMed ID: 23231212
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y
    J Mol Graph Model; 2004 May; 22(5):425-39. PubMed ID: 15099838
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Molecular dynamics simulation in the grand canonical ensemble.
    Eslami H; Müller-Plathe F
    J Comput Chem; 2007 Jul; 28(10):1763-73. PubMed ID: 17342717
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.