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 *

136 related articles for article (PubMed ID: 16685717)

  • 41. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Theoretical 13C chemical shift, 14N, and 2H quadrupole coupling- constant studies of hydrogen bonding in L-alanylglycine dipeptide.
    Tafazzoli M; Amini SK
    Magn Reson Chem; 2008 Apr; 46(4):370-6. PubMed ID: 18273875
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Single-sweep methods for free energy calculations.
    Maragliano L; Vanden-Eijnden E
    J Chem Phys; 2008 May; 128(18):184110. PubMed ID: 18532802
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Application of geometric algebra for the description of polymer conformations.
    Chys P
    J Chem Phys; 2008 Mar; 128(10):104107. PubMed ID: 18345877
    [TBL] [Abstract][Full Text] [Related]  

  • 45. On use of the Amber potential with the Langevin dipole method.
    Mijajlovic M; Biggs MJ
    J Phys Chem B; 2007 Jul; 111(26):7591-602. PubMed ID: 17550281
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Conformation dependence of the CalphaDalpha stretch mode in peptides. 1. Isolated alanine peptide structures.
    Mirkin NG; Krimm S
    J Phys Chem A; 2007 Jun; 111(24):5300-3. PubMed ID: 17530828
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Free energy profiles for monomer capture in Grubbs- and SHOP-type olefin polymerization catalysts: a constraint ab initio molecular dynamics study.
    Yang SY; Xiang ML; Chen LJ; Xie GB; Shi B; Wei YQ; Ziegler T
    J Comput Chem; 2007 Jan; 28(2):513-8. PubMed ID: 17186485
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Compact Representation of Continuous Energy Surfaces for More Efficient Protein Design.
    Hallen MA; Gainza P; Donald BR
    J Chem Theory Comput; 2015 May; 11(5):2292-306. PubMed ID: 26089744
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Theoretical UV circular dichroism of aliphatic cyclic dipeptides.
    Carlson KL; Lowe SL; Hoffmann MR; Thomasson KA
    J Phys Chem A; 2005 Jun; 109(24):5463-70. PubMed ID: 16839074
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
    Dawes R; Wagner AF; Thompson DL
    J Phys Chem A; 2009 Apr; 113(16):4709-21. PubMed ID: 19371124
    [TBL] [Abstract][Full Text] [Related]  

  • 51. First-principle calculation of reduced masses in vibrational analysis using generalized internal coordinates: some crucial aspects and examples.
    Stare J
    J Chem Inf Model; 2007; 47(3):840-50. PubMed ID: 17487962
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW; Li AH; Chao SD
    J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    Danecek P; Kapitán J; Baumruk V; Bednárová L; Kopecký V; Bour P
    J Chem Phys; 2007 Jun; 126(22):224513. PubMed ID: 17581069
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Algorithm for normal mode analysis with general internal coordinates.
    Kamiya K; Sugawara Y; Umeyama H
    J Comput Chem; 2003 May; 24(7):826-41. PubMed ID: 12692792
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Kinetic energy operators in linearized internal coordinates.
    Pesonen J
    J Chem Phys; 2008 Jan; 128(4):044319. PubMed ID: 18247961
    [TBL] [Abstract][Full Text] [Related]  

  • 56. [Molecular dynamics of oligopeptides. 4. Dynamic characteristics of frequently and rarely occurring dipeptide fragments of proteins].
    Shaĭtan KV; Beliakov AA
    Biofizika; 2002; 47(2):219-27. PubMed ID: 11969157
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Native atomic burials, supplemented by physically motivated hydrogen bond constraints, contain sufficient information to determine the tertiary structure of small globular proteins.
    Pereira de Araújo AF; Gomes AL; Bursztyn AA; Shakhnovich EI
    Proteins; 2008 Feb; 70(3):971-83. PubMed ID: 17847091
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Peptide hydrolysis catalyzed by matrix metalloproteinase 2: a computational study.
    Díaz N; Suárez D
    J Phys Chem B; 2008 Jul; 112(28):8412-24. PubMed ID: 18570467
    [TBL] [Abstract][Full Text] [Related]  

  • 59. 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]  

  • 60. Dissociation of carbonic acid: gas phase energetics and mechanism from ab initio metadynamics simulations.
    Kumar PP; Kalinichev AG; Kirkpatrick RJ
    J Chem Phys; 2007 May; 126(20):204315. PubMed ID: 17552770
    [TBL] [Abstract][Full Text] [Related]  

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