BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

164 related articles for article (PubMed ID: 26295285)

  • 1. Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect.
    Udagawa T; Suzuki K; Tachikawa M
    Chemphyschem; 2015 Oct; 16(15):3156-60. PubMed ID: 26295285
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A fragment molecular-orbital-multicomponent molecular-orbital method for analyzing HD isotope effects in large molecules.
    Ishimoto T; Tachikawa M; Nagashima U
    J Chem Phys; 2006 Jan; 124(1):14112. PubMed ID: 16409029
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths.
    Mitsuta Y; Asada T
    J Comput Chem; 2023 Sep; 44(23):1884-1897. PubMed ID: 37246800
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Nudged-elastic band method with two climbing images: finding transition states in complex energy landscapes.
    Zarkevich NA; Johnson DD
    J Chem Phys; 2015 Jan; 142(2):024106. PubMed ID: 25591337
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Curvature-weighted nudged elastic band method using the Riemann curvature.
    Mitsuta Y; Asada T
    J Comput Chem; 2023 Feb; 44(5):662-669. PubMed ID: 36380703
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Physical Prior Mean Function-Driven Gaussian Processes Search for Minimum-Energy Reaction Paths with a Climbing-Image Nudged Elastic Band: A General Method for Gas-Phase, Interfacial, and Bulk-Phase Reactions.
    Teng C; Wang Y; Bao JL
    J Chem Theory Comput; 2024 May; 20(10):4308-4324. PubMed ID: 38720441
    [TBL] [Abstract][Full Text] [Related]  

  • 7. H/D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory.
    Udagawa T; Tachikawa M
    J Chem Phys; 2006 Dec; 125(24):244105. PubMed ID: 17199338
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.
    Zhang J; Zhang H; Ye H; Zheng Y
    J Chem Phys; 2016 Sep; 145(9):094104. PubMed ID: 27608986
    [TBL] [Abstract][Full Text] [Related]  

  • 9. H/D isotope effect in methyl torsional interaction of acetone as calculated by a multicomponent molecular orbital method.
    Ishimoto T; Ishihara Y; Teramae H; Baba M; Nagashima U
    J Chem Phys; 2008 Dec; 129(21):214116. PubMed ID: 19063553
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Improved constrained optimization method for reaction-path determination in the generalized hybrid orbital quantum mechanical/molecular mechanical calculations.
    Jung J; Re S; Sugita Y; Ten-no S
    J Chem Phys; 2013 Jan; 138(4):044106. PubMed ID: 23387567
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A theoretical study of H(2) dissociation on (sq.rt(3) x sq.rt(3))R30 degrees CO/Ru(0001).
    Groot IM; Juanes-Marcos JC; Olsen RA; Kroes GJ
    J Chem Phys; 2010 Apr; 132(14):144704. PubMed ID: 20406007
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Nudged-elastic band used to find reaction coordinates based on the free energy.
    Bohner MU; Zeman J; Smiatek J; Arnold A; Kästner J
    J Chem Phys; 2014 Feb; 140(7):074109. PubMed ID: 24559340
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A hybrid elastic band string algorithm for studies of enzymatic reactions.
    Aleksandrov A; Field M
    Phys Chem Chem Phys; 2012 Sep; 14(36):12544-53. PubMed ID: 22576234
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method.
    Mori T; Martínez TJ
    J Chem Theory Comput; 2013 Feb; 9(2):1155-63. PubMed ID: 26588758
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An automated nudged elastic band method.
    Kolsbjerg EL; Groves MN; Hammer B
    J Chem Phys; 2016 Sep; 145(9):094107. PubMed ID: 27608989
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A growing string method for determining transition states: comparison to the nudged elastic band and string methods.
    Peters B; Heyden A; Bell AT; Chakraborty A
    J Chem Phys; 2004 May; 120(17):7877-86. PubMed ID: 15267702
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following.
    Ásgeirsson V; Birgisson BO; Bjornsson R; Becker U; Neese F; Riplinger C; Jónsson H
    J Chem Theory Comput; 2021 Aug; 17(8):4929-4945. PubMed ID: 34275279
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Optimization methods for finding minimum energy paths.
    Sheppard D; Terrell R; Henkelman G
    J Chem Phys; 2008 Apr; 128(13):134106. PubMed ID: 18397052
    [TBL] [Abstract][Full Text] [Related]  

  • 19. H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH···YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation.
    Udagawa T; Tachikawa M
    J Comput Chem; 2015 Aug; 36(22):1647-54. PubMed ID: 26123707
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Paths to which the nudged elastic band converges.
    Sheppard D; Henkelman G
    J Comput Chem; 2011 Jun; 32(8):1769-71; author reply 1772-3. PubMed ID: 21328409
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.