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 *

60 related articles for article (PubMed ID: 21425295)

  • 1. IBIsCO: a molecular dynamics simulation package for coarse-grained simulation.
    Karimi-Varzaneh HA; Qian HJ; Chen X; Carbone P; Müller-Plathe F
    J Comput Chem; 2011 May; 32(7):1475-87. PubMed ID: 21425295
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Construction of Multiscale Dissipative Particle Dynamics (DPD) Models from Other Coarse-Grained Models.
    Wang Y; Hernandez R
    ACS Omega; 2024 Apr; 9(15):17667-17680. PubMed ID: 38645334
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Predicting the artificial dynamical acceleration of binary hydrocarbon mixtures upon coarse-graining with roughness volumes and simple averaging rules.
    Meinel MK; Müller-Plathe F
    J Chem Phys; 2024 May; 160(17):. PubMed ID: 38748007
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields.
    Sieradzan AK; Giełdoń A; Yin Y; He Y; Scheraga HA; Liwo A
    J Comput Chem; 2018 Oct; 39(28):2360-2370. PubMed ID: 30306573
    [TBL] [Abstract][Full Text] [Related]  

  • 5. M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.
    Witek J; Heindel JP; Guan X; Leven I; Hao H; Naullage P; LaCour A; Sami S; Menger MFSJ; Cofer-Shabica DV; Berquist E; Faraji S; Epifanovsky E; Head-Gordon T
    Mol Phys; 2023; 121(9-10):. PubMed ID: 37470065
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Synthetic Force-Field Database for Training Machine Learning Models to Predict Mobility-Preserving Coarse-Grained Molecular-Simulation Potentials.
    Bag S; Meinel MK; Müller-Plathe F
    J Chem Theory Comput; 2024 Apr; 20(8):3046-3060. PubMed ID: 38593205
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion.
    Moore TC; Iacovella CR; McCabe C
    J Chem Phys; 2014 Jun; 140(22):224104. PubMed ID: 24929371
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multiscale computational simulation of pollutant behavior at water interfaces.
    Xue Q; Jiao Z; Pan W; Liu X; Fu J; Zhang A
    Water Res; 2024 Feb; 250():121043. PubMed ID: 38154340
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations.
    Klippenstein V; Wolf N; van der Vegt NFA
    J Chem Phys; 2024 May; 160(20):. PubMed ID: 38804493
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level.
    Walther J; Dans PD; Balaceanu A; Hospital A; Bayarri G; Orozco M
    Nucleic Acids Res; 2020 Mar; 48(5):e29. PubMed ID: 31956910
    [TBL] [Abstract][Full Text] [Related]  

  • 11. [Research progress of coarse-grained molecular dynamics in drug carrier materials].
    Zhang M; Gong M; Wang J; Chen Z; Zhou L
    Sheng Wu Yi Xue Gong Cheng Xue Za Zhi; 2023 Aug; 40(4):799-804. PubMed ID: 37666772
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Efficient Schmidt number scaling in dissipative particle dynamics.
    Krafnick RC; García AE
    J Chem Phys; 2015 Dec; 143(24):243106. PubMed ID: 26723591
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Green-Kubo expressions for transport coefficients from dissipative particle dynamics simulations revisited.
    Malaspina DC; Lísal M; Larentzos JP; Brennan JK; Mackie AD; Avalos JB
    Phys Chem Chem Phys; 2024 Jan; 26(2):1328-1339. PubMed ID: 38108233
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Resolving the dynamic properties of entangled linear polymers in non-equilibrium coarse grain simulation with
    Nie Y; Zheng Z; Li C; Zhan H; Kou L; Gu Y; Lü C
    Nanoscale; 2024 Mar; 16(13):6548-6560. PubMed ID: 38494916
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion.
    Moore TC; Iacovella CR; McCabe C
    Found Mol Model Simul (2015); 2016; 2016():37-52. PubMed ID: 32483559
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Derived Coarse-Grained Potentials for Semicrystalline Polymers with a Blended Multistate Iterative Boltzmann Inversion Method.
    Eghlidos O; Oswald J
    J Chem Theory Comput; 2023 Dec; 19(24):9445-9456. PubMed ID: 38083860
    [TBL] [Abstract][Full Text] [Related]  

  • 17. WESTPA: an interoperable, highly scalable software package for weighted ensemble simulation and analysis.
    Zwier MC; Adelman JL; Kaus JW; Pratt AJ; Wong KF; Rego NB; Suárez E; Lettieri S; Wang DW; Grabe M; Zuckerman DM; Chong LT
    J Chem Theory Comput; 2015 Feb; 11(2):800-9. PubMed ID: 26392815
    [TBL] [Abstract][Full Text] [Related]  

  • 18. MPI-parallelization of the grid inhomogeneous solvation theory calculation.
    Roe DR; Brooks BR
    J Comput Chem; 2024 Apr; 45(10):633-637. PubMed ID: 38071482
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Scaling molecular dynamics beyond 100,000 processor cores for large-scale biophysical simulations.
    Jung J; Nishima W; Daniels M; Bascom G; Kobayashi C; Adedoyin A; Wall M; Lappala A; Phillips D; Fischer W; Tung CS; Schlick T; Sugita Y; Sanbonmatsu KY
    J Comput Chem; 2019 Aug; 40(21):1919-1930. PubMed ID: 30994934
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Large-Scale Molecular Dynamics Simulation Based on Heterogeneous Many-Core Architecture.
    Zhou X; Wei Z; Lu H; He J; Gao Y; Hu X; Wang C; Dong Y; Liu H
    J Chem Inf Model; 2024 Feb; 64(3):851-861. PubMed ID: 38299978
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 3.