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 *

109 related articles for article (PubMed ID: 18826187)

  • 1. Investigating the polymorphism in PR179: a combined crystal structure prediction and metadynamics study.
    Zykova-Timan T; Raiteri P; Parrinello M
    J Phys Chem B; 2008 Oct; 112(42):13231-7. PubMed ID: 18826187
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction.
    Karamertzanis PG; Raiteri P; Parrinello M; Leslie M; Price SL
    J Phys Chem B; 2008 Apr; 112(14):4298-308. PubMed ID: 18341322
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics.
    Raiteri P; Laio A; Gervasio FL; Micheletti C; Parrinello M
    J Phys Chem B; 2006 Mar; 110(8):3533-9. PubMed ID: 16494409
    [TBL] [Abstract][Full Text] [Related]  

  • 4. DFT and local-MP2 periodic study of the structure and stability of two proton-ordered polymorphs of ice.
    Erba A; Casassa S; Maschio L; Pisani C
    J Phys Chem B; 2009 Feb; 113(8):2347-54. PubMed ID: 19199689
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones.
    Schmidt MU; Paulus EF; Rademacher N; Day GM
    Acta Crystallogr B; 2010 Oct; 66(Pt 5):515-26. PubMed ID: 20841919
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The polymorphs of ROY: application of a systematic crystal structure prediction technique.
    Vasileiadis M; Kazantsev AV; Karamertzanis PG; Adjiman CS; Pantelides CC
    Acta Crystallogr B; 2012 Dec; 68(Pt 6):677-85. PubMed ID: 23165604
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism.
    Price SS
    Acc Chem Res; 2009 Jan; 42(1):117-26. PubMed ID: 18925751
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Cross-nucleation between ROY polymorphs.
    Chen S; Xi H; Yu L
    J Am Chem Soc; 2005 Dec; 127(49):17439-44. PubMed ID: 16332095
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Crystal engineering on industrial diaryl pigments using lattice energy minimizations and X-ray powder diffraction.
    Schmidt MU; Dinnebier RE; Kalkhof H
    J Phys Chem B; 2007 Aug; 111(33):9722-32. PubMed ID: 17672490
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening.
    Neumann MA; van de Streek J; Fabbiani FP; Hidber P; Grassmann O
    Nat Commun; 2015 Jul; 6():7793. PubMed ID: 26198974
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles.
    Podeszwa R; Rice BM; Szalewicz K
    Phys Chem Chem Phys; 2009 Jul; 11(26):5512-8. PubMed ID: 19551222
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2.
    Zwijnenburg MA; Corà F; Bell RG
    J Am Chem Soc; 2008 Aug; 130(33):11082-7. PubMed ID: 18651739
    [TBL] [Abstract][Full Text] [Related]  

  • 13. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape.
    Price SL
    Phys Chem Chem Phys; 2008 Apr; 10(15):1996-2009. PubMed ID: 18688351
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Inherent structures of crystalline tetracene.
    Della Valle RG; Venuti E; Brillante A; Girlando A
    J Phys Chem A; 2006 Sep; 110(37):10858-62. PubMed ID: 16970382
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Integral modeling approach to study the phase behavior of complex solids: application to phase transitions in MgSiO3 pyroxenes.
    Jahn S
    Acta Crystallogr A; 2010 Sep; 66(Pt 5):535-41. PubMed ID: 20720318
    [TBL] [Abstract][Full Text] [Related]  

  • 16. New polymorphs of ROY and new record for coexisting polymorphs of solved structures.
    Chen S; Guzei IA; Yu L
    J Am Chem Soc; 2005 Jul; 127(27):9881-5. PubMed ID: 15998094
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Metadynamics as a tool for exploring free energy landscapes of chemical reactions.
    Ensing B; De Vivo M; Liu Z; Moore P; Klein ML
    Acc Chem Res; 2006 Feb; 39(2):73-81. PubMed ID: 16489726
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploration of NVE classical trajectories as a tool for molecular crystal structure prediction, with tests on ice polymorphs.
    Buch V; Martonák R; Parrinello M
    J Chem Phys; 2006 May; 124(20):204705. PubMed ID: 16774362
    [TBL] [Abstract][Full Text] [Related]  

  • 19. First-principles investigation on the geometry and electronic structure of the three-dimensional cuboidal C(60) polymer.
    Yang J; Tse JS; Iitaka T
    J Chem Phys; 2007 Oct; 127(13):134906. PubMed ID: 17919053
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental and computational growth morphology of two polymorphs of a yellow isoxazolone dye.
    Deij MA; Aret E; Boerrigter SX; van Meervelt L; Deroover G; Meekes H; Vlieg E
    Langmuir; 2005 Apr; 21(9):3831-7. PubMed ID: 15835944
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.