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 *

105 related articles for article (PubMed ID: 12116381)

  • 1. Efficiency of the multicanonical simulation method as applied to peptides of increasing size: the heptapeptide deltorphin.
    Yaşar F; Arkin H; Celik T; Berg BA; Meirovitch H
    J Comput Chem; 2002 Sep; 23(12):1127-34. PubMed ID: 12116381
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Conformational search of peptides and proteins: Monte Carlo minimization with an adaptive bias method applied to the heptapeptide deltorphin.
    Ozkan SB; Meirovitch H
    J Comput Chem; 2004 Mar; 25(4):565-72. PubMed ID: 14735574
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The SAAP force field: development of the single amino acid potentials for 20 proteinogenic amino acids and Monte Carlo molecular simulation for short peptides.
    Iwaoka M; Kimura N; Yosida D; Minezaki T
    J Comput Chem; 2009 Oct; 30(13):2039-55. PubMed ID: 19140140
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Determination of conformational equilibrium of peptides in solution by NMR spectroscopy and theoretical conformational analysis: application to the calibration of mean-field solvation models.
    Groth M; Malicka J; Rodziewicz- Motowidło S; Czaplewski C; Klaudel L; Wiczk W; Liwo A
    Biopolymers; 2001; 60(2):79-95. PubMed ID: 11455544
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computer simulation of the free energy of peptides with the local states method: analogues of gonadotropin releasing hormone in the random coil and stable states.
    Meirovitch H; Koerber SC; Rivier JE; Hagler AT
    Biopolymers; 1994 Jul; 34(7):815-39. PubMed ID: 8054467
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Exhaustive mutagenesis in silico: multicoordinate free energy calculations on proteins and peptides.
    Pitera JW; Kollman PA
    Proteins; 2000 Nov; 41(3):385-97. PubMed ID: 11025549
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Monte Carlo minimization with thermalization for global optimization of polypeptide conformations in cartesian coordinate space.
    Caflisch A; Niederer P; Anliker M
    Proteins; 1992 Sep; 14(1):102-9. PubMed ID: 1409559
    [TBL] [Abstract][Full Text] [Related]  

  • 8. High directional Monte Carlo procedure coupled with the temperature heating and annealing as a method to obtain the global energy minimum structure of polypeptides and proteins.
    Shin JK; Jhon MS
    Biopolymers; 1991 Feb; 31(2):177-85. PubMed ID: 2043748
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides.
    Cheluvaraja S; Meirovitch H
    J Chem Phys; 2005 Feb; 122(5):54903. PubMed ID: 15740349
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Conformational space exploration of Met- and Leu-enkephalin using the MOLS method, molecular dynamics, and Monte Carlo simulation--a comparative study.
    Ramya L; Gautham N
    Biopolymers; 2012 Mar; 97(3):165-76. PubMed ID: 21953081
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.
    Okumura H
    J Chem Phys; 2008 Sep; 129(12):124116. PubMed ID: 19045015
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Evaluation of efficiency of reference potential spatial warping algorithm in conformational sampling of peptides.
    Ishitani R; Shimizu K; Terada T
    J Chem Phys; 2006 Jun; 124(21):214902. PubMed ID: 16774437
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. All-atom Monte Carlo approach to protein-peptide binding.
    Staneva I; Wallin S
    J Mol Biol; 2009 Nov; 393(5):1118-28. PubMed ID: 19733177
    [TBL] [Abstract][Full Text] [Related]  

  • 15. New developments of the electrostatically driven Monte Carlo method: test on the membrane-bound portion of melittin.
    Ripoll DR; Liwo A; Scheraga HA
    Biopolymers; 1998 Aug; 46(2):117-26. PubMed ID: 9664845
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
    Hassan SA; Mehler EL; Zhang D; Weinstein H
    Proteins; 2003 Apr; 51(1):109-25. PubMed ID: 12596268
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conformational transition free energy profiles of an adsorbed, lattice model protein by multicanonical Monte Carlo simulation.
    Castells V; Van Tassel PR
    J Chem Phys; 2005 Feb; 122(8):84707. PubMed ID: 15836077
    [TBL] [Abstract][Full Text] [Related]  

  • 18. New theoretical methodology for elucidating the solution structure of peptides from NMR data. II. Free energy of dominant microstates of Leu-enkephalin and population-weighted average nuclear Overhauser effects intensities.
    Meirovitch E; Meirovitch H
    Biopolymers; 1996 Jan; 38(1):69-88. PubMed ID: 8679943
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Monte Carlo simulations of biomolecules: The MC module in CHARMM.
    Hu J; Ma A; Dinner AR
    J Comput Chem; 2006 Jan; 27(2):203-16. PubMed ID: 16323162
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Monte Carlo sampling algorithm for searching a scale-transformed energy space of polypeptides.
    Nakamura H
    J Comput Chem; 2002 Mar; 23(4):511-6. PubMed ID: 11908088
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.