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 *

175 related articles for article (PubMed ID: 30589834)

  • 1. Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours.
    Jumper JM; Faruk NF; Freed KF; Sosnick TR
    PLoS Comput Biol; 2018 Dec; 14(12):e1006578. PubMed ID: 30589834
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics.
    Jumper JM; Faruk NF; Freed KF; Sosnick TR
    PLoS Comput Biol; 2018 Dec; 14(12):e1006342. PubMed ID: 30589846
    [TBL] [Abstract][Full Text] [Related]  

  • 3. OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations.
    Lu W; Bueno C; Schafer NP; Moller J; Jin S; Chen X; Chen M; Gu X; Davtyan A; de Pablo JJ; Wolynes PG
    PLoS Comput Biol; 2021 Feb; 17(2):e1008308. PubMed ID: 33577557
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Contrastive Learning of Coarse-Grained Force Fields.
    Ding X; Zhang B
    J Chem Theory Comput; 2022 Oct; 18(10):6334-6344. PubMed ID: 36112935
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Another look at the conditions for the extraction of protein knowledge-based potentials.
    Betancourt MR
    Proteins; 2009 Jul; 76(1):72-85. PubMed ID: 19089977
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Coarse-grained protein model with residue orientation energies derived from atomic force fields.
    Betancourt MR
    J Phys Chem B; 2009 Nov; 113(44):14824-30. PubMed ID: 19817469
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Coarse-grained force field: general folding theory.
    Liwo A; He Y; Scheraga HA
    Phys Chem Chem Phys; 2011 Oct; 13(38):16890-901. PubMed ID: 21643583
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations.
    Piana S; Klepeis JL; Shaw DE
    Curr Opin Struct Biol; 2014 Feb; 24():98-105. PubMed ID: 24463371
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Top-Down Machine Learning of Coarse-Grained Protein Force Fields.
    Navarro C; Majewski M; De Fabritiis G
    J Chem Theory Comput; 2023 Nov; 19(21):7518-7526. PubMed ID: 37874270
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Macromolecular crowding: chemistry and physics meet biology (Ascona, Switzerland, 10-14 June 2012).
    Foffi G; Pastore A; Piazza F; Temussi PA
    Phys Biol; 2013 Aug; 10(4):040301. PubMed ID: 23912807
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers.
    Nassar R; Brini E; Parui S; Liu C; Dignon GL; Dill KA
    J Chem Theory Comput; 2022 Mar; 18(3):1929-1935. PubMed ID: 35133832
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Bayesian inference of protein conformational ensembles from limited structural data.
    Potrzebowski W; Trewhella J; Andre I
    PLoS Comput Biol; 2018 Dec; 14(12):e1006641. PubMed ID: 30557358
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multiscale investigation of chemical interference in proteins.
    Samiotakis A; Homouz D; Cheung MS
    J Chem Phys; 2010 May; 132(17):175101. PubMed ID: 20459186
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A decoy set for the thermostable subdomain from chicken villin headpiece, comparison of different free energy estimators.
    Fogolari F; Tosatto SC; Colombo G
    BMC Bioinformatics; 2005 Dec; 6():301. PubMed ID: 16354298
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multiscale coarse-graining of the protein energy landscape.
    Hills RD; Lu L; Voth GA
    PLoS Comput Biol; 2010 Jun; 6(6):e1000827. PubMed ID: 20585614
    [TBL] [Abstract][Full Text] [Related]  

  • 16. UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics.
    Czaplewski C; Karczynska A; Sieradzan AK; Liwo A
    Nucleic Acids Res; 2018 Jul; 46(W1):W304-W309. PubMed ID: 29718313
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding.
    Kamenik AS; Handle PH; Hofer F; Kahler U; Kraml J; Liedl KR
    J Chem Phys; 2020 Nov; 153(18):185102. PubMed ID: 33187403
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.
    Li X; Hassan SA; Mehler EL
    Proteins; 2005 Aug; 60(3):464-84. PubMed ID: 15959866
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A Maximum-Likelihood Approach to Force-Field Calibration.
    Zaborowski B; Jagieła D; Czaplewski C; Hałabis A; Lewandowska A; Żmudzińska W; Ołdziej S; Karczyńska A; Omieczynski C; Wirecki T; Liwo A
    J Chem Inf Model; 2015 Sep; 55(9):2050-70. PubMed ID: 26263302
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains.
    Liwo A; Khalili M; Scheraga HA
    Proc Natl Acad Sci U S A; 2005 Feb; 102(7):2362-7. PubMed ID: 15677316
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.