BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

101 related articles for article (PubMed ID: 15053577)

  • 1. Isomerization of a peptidic fragment studied theoretically in vacuum and in explicit water solvent at finite temperature.
    Mantz YA; Gerard H; Iftimie R; Martyna GJ
    J Am Chem Soc; 2004 Apr; 126(13):4080-1. PubMed ID: 15053577
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway.
    Mantz YA; Gerard H; Iftimie R; Martyna GJ
    J Phys Chem B; 2006 Jul; 110(27):13523-38. PubMed ID: 16821879
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide.
    Mantz YA; Branduardi D; Bussi G; Parrinello M
    J Phys Chem B; 2009 Sep; 113(37):12521-9. PubMed ID: 19694484
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Car-Parrinello molecular dynamics simulation of Fe 3+ (aq).
    Amira S; Spångberg D; Zelin V; Probst M; Hermansson K
    J Phys Chem B; 2005 Jul; 109(29):14235-42. PubMed ID: 16852787
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Solvent dependence on bond length alternation and charge distribution in phenol blue: a Car-Parrinello molecular dynamics investigation.
    Murugan NA; Rinkevicius Z; Agren H
    J Phys Chem A; 2009 Apr; 113(17):4833-9. PubMed ID: 19341255
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Role of dynamic flexibility in computing solvatochromic properties of dye-solvent systems: o-betaine in water.
    Murugan NA; Agren H
    J Phys Chem A; 2009 Mar; 113(11):2572-7. PubMed ID: 19222188
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Conformational preferences and cis-trans isomerization of azaproline residue.
    Kang YK; Byun BJ
    J Phys Chem B; 2007 May; 111(19):5377-85. PubMed ID: 17439267
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Intramolecular hydrogen bond-controlled prolyl amide isomerization in glucosyl 3'(S)-hydroxy-5'-hydroxymethylproline hybrids: influence of a C-5'-hydroxymethyl substituent on the thermodynamics and kinetics of prolyl amide cis/trans isomerization.
    Zhang K; Teklebrhan RB; Schreckenbach G; Wetmore S; Schweizer F
    J Org Chem; 2009 May; 74(10):3735-43. PubMed ID: 19354261
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations.
    Troganis AN; Sicilia E; Barbarossou K; Gerothanassis IP; Russo N
    J Phys Chem A; 2005 Dec; 109(51):11878-84. PubMed ID: 16366639
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R; Duvail M; Vitorge P; Cartailler T; Tortajada J; Chillemi G; D'Angelo P; Gaigeot MP
    J Phys Chem A; 2006 Dec; 110(48):13081-8. PubMed ID: 17134169
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water.
    Yonezawa Y; Nakata K; Sakakura K; Takada T; Nakamura H
    J Am Chem Soc; 2009 Apr; 131(12):4535-40. PubMed ID: 19267429
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Conformational preferences and cis-trans isomerization of L-lactic acid residue.
    Kang YK; Byun BJ
    J Phys Chem B; 2008 Jul; 112(30):9126-34. PubMed ID: 18605682
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Conformational preferences of N-methoxycarbonyl proline dipeptide.
    Kang YK; Kang NS
    J Comput Chem; 2009 May; 30(7):1116-27. PubMed ID: 18988252
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Conformational preferences and cis-trans isomerization of L-3,4-dehydroproline residue.
    Kang YK; Park HS
    Biopolymers; 2009; 92(5):387-98. PubMed ID: 19373924
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
    Jezierska A; Panek J; Borstnik U; Mavri J; Janezic D
    J Phys Chem B; 2007 May; 111(19):5243-8. PubMed ID: 17447809
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Solvent dependence of conformational distribution, molecular geometry, and electronic structure in adenosine.
    Murugan NA; Hugosson HW
    J Phys Chem B; 2009 Jan; 113(4):1012-21. PubMed ID: 19123823
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Visible-light photoisomerization and photoaquation of trans-[Ru(1,3,5-triaza-7-phosphaadamantane)4Cl2] in organic solvent and water.
    Girotti R; Romerosa A; Mañas S; Serrano-Ruiz M; Perutz RN
    Inorg Chem; 2009 Apr; 48(8):3692-8. PubMed ID: 19320468
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Solution structure of the aqueous model peptide N-methylacetamide.
    Allison SK; Bates SP; Crain J; Martyna GJ
    J Phys Chem B; 2006 Oct; 110(42):21319-26. PubMed ID: 17048961
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Conformational preferences of non-prolyl and prolyl residues.
    Kang YK
    J Phys Chem B; 2006 Oct; 110(42):21338-48. PubMed ID: 17048963
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
    J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.