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 *

121 related articles for article (PubMed ID: 24046838)

  • 1. CENCALC: a computational tool for conformational entropy calculations from molecular simulations.
    Suárez E; Díaz N; Méndez J; Suárez D
    J Comput Chem; 2013 Sep; 34(23):2041-54. PubMed ID: 24046838
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations.
    Suárez E; Díaz N; Suárez D
    J Chem Theory Comput; 2011 Aug; 7(8):2638-53. PubMed ID: 26606637
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Multibody local approximation: application to conformational entropy calculations on biomolecules.
    Suárez E; Suárez D
    J Chem Phys; 2012 Aug; 137(8):084115. PubMed ID: 22938226
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational Entropy of Intrinsically Disordered Proteins from Amino Acid Triads.
    Baruah A; Rani P; Biswas P
    Sci Rep; 2015 Jul; 5():11740. PubMed ID: 26138206
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Toward Reliable and Insightful Entropy Calculations on Flexible Molecules.
    Díaz N; Suárez D
    J Chem Theory Comput; 2022 Dec; 18(12):7166-7178. PubMed ID: 36426866
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Population distribution of flexible molecules from maximum entropy analysis using different priors as background information: application to the Φ, Ψ-conformational space of the α-(1-->2)-linked mannose disaccharide present in N- and O-linked glycoproteins.
    Säwén E; Massad T; Landersjö C; Damberg P; Widmalm G
    Org Biomol Chem; 2010 Aug; 8(16):3684-95. PubMed ID: 20574564
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Extraction of configurational entropy from molecular simulations via an expansion approximation.
    Killian BJ; Yundenfreund Kravitz J; Gilson MK
    J Chem Phys; 2007 Jul; 127(2):024107. PubMed ID: 17640119
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Computational Methods for Configurational Entropy Using Internal and Cartesian Coordinates.
    Hikiri S; Yoshidome T; Ikeguchi M
    J Chem Theory Comput; 2016 Dec; 12(12):5990-6000. PubMed ID: 27951672
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. A Rigorous and Efficient Method To Reweight Very Large Conformational Ensembles Using Average Experimental Data and To Determine Their Relative Information Content.
    Leung HT; Bignucolo O; Aregger R; Dames SA; Mazur A; Bernèche S; Grzesiek S
    J Chem Theory Comput; 2016 Jan; 12(1):383-94. PubMed ID: 26632648
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods.
    Hnizdo V; Tan J; Killian BJ; Gilson MK
    J Comput Chem; 2008 Jul; 29(10):1605-14. PubMed ID: 18293293
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Estimation of conformational entropy in protein-ligand interactions: a computational perspective.
    Polyansky AA; Zubac R; Zagrovic B
    Methods Mol Biol; 2012; 819():327-53. PubMed ID: 22183546
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation.
    Noé F; Daidone I; Smith JC; di Nola A; Amadei A
    J Phys Chem B; 2008 Sep; 112(35):11155-63. PubMed ID: 18698708
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy--application to DNS1-c-[D-A2,bu2,Trp4,Leu5]enkephalin and DNS1-c-[D-A2bu2,Trp4,D-Leu5]enkephalin.
    Groth M; Malicka J; Czaplewski C; Ołdziej S; Lankiewicz L; Wiczk W; Liwo A
    J Biomol NMR; 1999 Dec; 15(4):315-30. PubMed ID: 10685340
    [TBL] [Abstract][Full Text] [Related]  

  • 15. ALMOST: an all atom molecular simulation toolkit for protein structure determination.
    Fu B; Sahakyan AB; Camilloni C; Tartaglia GG; Paci E; Caflisch A; Vendruscolo M; Cavalli A
    J Comput Chem; 2014 May; 35(14):1101-5. PubMed ID: 24676684
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Integrating Molecular Simulation and Experimental Data: A Bayesian/Maximum Entropy Reweighting Approach.
    Bottaro S; Bengtsen T; Lindorff-Larsen K
    Methods Mol Biol; 2020; 2112():219-240. PubMed ID: 32006288
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparison of Different Reweighting Approaches for the Calculation of Conformational Variability of Macromolecules from Molecular Simulations.
    Medeiros Selegato D; Bracco C; Giannelli C; Parigi G; Luchinat C; Sgheri L; Ravera E
    Chemphyschem; 2021 Jan; 22(1):127-138. PubMed ID: 33002277
    [TBL] [Abstract][Full Text] [Related]  

  • 18. PARENT: A Parallel Software Suite for the Calculation of Configurational Entropy in Biomolecular Systems.
    Fleck M; Polyansky AA; Zagrovic B
    J Chem Theory Comput; 2016 Apr; 12(4):2055-65. PubMed ID: 26989950
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Evaluation of configurational entropy methods from peptide folding-unfolding simulation.
    Li DW; Khanlarzadeh M; Wang J; Huo S; Brüschweiler R
    J Phys Chem B; 2007 Dec; 111(49):13807-13. PubMed ID: 18020439
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Investigations into sequence and conformational dependence of backbone entropy, inter-basin dynamics and the Flory isolated-pair hypothesis for peptides.
    Zaman MH; Shen MY; Berry RS; Freed KF; Sosnick TR
    J Mol Biol; 2003 Aug; 331(3):693-711. PubMed ID: 12899838
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.