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 *

133 related articles for article (PubMed ID: 26574397)

  • 21. Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of 3-(2-(4-isopropylpiperazin-1-yl)-2-oxoethyl)-6-(4-methoxybenzoyl)benzo[d]thiazol-2(3H)-one.
    Taşal E; Kumalar M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan; 101():204-17. PubMed ID: 23103462
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
    Johansen TH; Hassler K; Richardson AD; Tekautz G; Hagen K
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Fragment quantum mechanical calculation of proteins and its applications.
    He X; Zhu T; Wang X; Liu J; Zhang JZ
    Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction.
    Curtis F; Rose T; Marom N
    Faraday Discuss; 2018 Oct; 211(0):61-77. PubMed ID: 30073236
    [TBL] [Abstract][Full Text] [Related]  

  • 25. FT-IR, HF and DFT structural, vibrational analysis of 5-chloro-3-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one molecule.
    Taşal E; Kumalar M
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():687-96. PubMed ID: 24529346
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Crystal structure prediction and isostructurality of three small organic halogen compounds.
    Asmadi A; Kendrick J; Leusen FJ
    Phys Chem Chem Phys; 2010 Aug; 12(30):8571-9. PubMed ID: 20532368
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate models.
    Sugden I; Adjiman CS; Pantelides CC
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2016 Dec; 72(Pt 6):864-874. PubMed ID: 27910837
    [TBL] [Abstract][Full Text] [Related]  

  • 28. YinYang atom: a simple combined ab initio quantum mechanical molecular mechanical model.
    Shao Y; Kong J
    J Phys Chem A; 2007 May; 111(18):3661-71. PubMed ID: 17429951
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules.
    Izgorodina EI; Lin CY; Coote ML
    Phys Chem Chem Phys; 2007 May; 9(20):2507-16. PubMed ID: 17508083
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins.
    Abagyan R; Totrov M
    J Mol Biol; 1994 Jan; 235(3):983-1002. PubMed ID: 8289329
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam.
    Nowell H; Price SL
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):558-68. PubMed ID: 16186656
    [TBL] [Abstract][Full Text] [Related]  

  • 33. How Accurate Can Crystal Structure Predictions Be for High-Energy Molecular Crystals?
    Bidault X; Chaudhuri S
    Molecules; 2023 May; 28(11):. PubMed ID: 37298947
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Prediction of atomic structure from sequence for double helical DNA oligomers.
    Farwer J; Packer MJ; Hunter CA
    Biopolymers; 2006 Jan; 81(1):51-61. PubMed ID: 16184626
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.
    Makhov DV; Glover WJ; Martinez TJ; Shalashilin DV
    J Chem Phys; 2014 Aug; 141(5):054110. PubMed ID: 25106573
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Ab initio calculations on low-energy conformers of alpha-cyclodextrin.
    Anconi CP; Nascimento CS; Fedoce-Lopes J; Dos Santos HF; De Almeida WB
    J Phys Chem A; 2007 Dec; 111(48):12127-35. PubMed ID: 17997539
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Prediction and rationalization of protein pKa values using QM and QM/MM methods.
    Jensen JH; Li H; Robertson AD; Molina PA
    J Phys Chem A; 2005 Aug; 109(30):6634-43. PubMed ID: 16834015
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction.
    Karamertzanis PG; Kazantsev AV; Issa N; Welch GW; Adjiman CS; Pantelides CC; Price SL
    J Chem Theory Comput; 2009 May; 5(5):1432-48. PubMed ID: 26609729
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Guided macro-mutation in a graded energy based genetic algorithm for protein structure prediction.
    Rashid MA; Iqbal S; Khatib F; Hoque MT; Sattar A
    Comput Biol Chem; 2016 Apr; 61():162-77. PubMed ID: 26878130
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Molecular structure and vibrational bands and chemical shift assignments of 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione by DFT and ab initio HF calculations.
    Karakurt T; Dinçer M; Cetin A; Sekerci M
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 77(1):189-98. PubMed ID: 20542728
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.