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 *

276 related articles for article (PubMed ID: 15622548)

  • 1. Ab initio crystal structure prediction-I. Rigid molecules.
    Karamertzanis PG; Pantelides CC
    J Comput Chem; 2005 Feb; 26(3):304-24. PubMed ID: 15622548
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A third blind test of crystal structure prediction.
    Day GM; Motherwell WD; Ammon HL; Boerrigter SX; Della Valle RG; Venuti E; Dzyabchenko A; Dunitz JD; Schweizer B; van Eijck BP; Erk P; Facelli JC; Bazterra VE; Ferraro MB; Hofmann DW; Leusen FJ; Liang C; Pantelides CC; Karamertzanis PG; Price SL; Lewis TC; Nowell H; Torrisi A; Scheraga HA; Arnautova YA; Schmidt MU; Verwer P
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):511-27. PubMed ID: 16186652
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Tailor-made force fields for crystal-structure prediction.
    Neumann MA
    J Phys Chem B; 2008 Aug; 112(32):9810-29. PubMed ID: 18642947
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Conformational, concomitant polymorphs of 4,4-diphenyl-2,5-cyclohexadienone: conformation and lattice energy compensation in the kinetic and thermodynamic forms.
    Roy S; Banerjee R; Nangia A; Kruger GJ
    Chemistry; 2006 May; 12(14):3777-88. PubMed ID: 16514685
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Challenges of crystal structure prediction of diastereomeric salt pairs.
    Karamertzanis PG; Price SL
    J Phys Chem B; 2005 Sep; 109(36):17134-50. PubMed ID: 16853186
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Structure and IR spectrum of phenylalanyl-glycyl-glycine tripetide in the gas-phase: IR/UV experiments, ab initio quantum chemical calculations, and molecular dynamic simulations.
    Reha D; Valdés H; Vondrásek J; Hobza P; Abu-Riziq A; Crews B; de Vries MS
    Chemistry; 2005 Nov; 11(23):6803-17. PubMed ID: 16092140
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Spatial arrangement of molecules in homomolecular Z' = 2 structures.
    Pidcock E
    Acta Crystallogr B; 2006 Apr; 62(Pt 2):268-79. PubMed ID: 16552161
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Distribution of molecular pairs in Z' = 2 structures.
    Collins A
    Acta Crystallogr B; 2006 Oct; 62(Pt 5):897-911. PubMed ID: 16983170
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Characterization of complicated new polymorphs of chlorothalonil by X-ray diffraction and computer crystal structure prediction.
    Tremayne M; Grice L; Pyatt JC; Seaton CC; Kariuki BM; Tsui HH; Price SL; Cherryman JC
    J Am Chem Soc; 2004 Jun; 126(22):7071-81. PubMed ID: 15174878
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A solution to the observed Z' = 2 preference in the crystal structures of hydrophobic amino acids.
    Görbitz CH; Vestli K; Orlando R
    Acta Crystallogr B; 2009 Jun; 65(Pt 3):393-400. PubMed ID: 19461150
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole.
    Nowell H; Frampton CS; Waite J; Price SL
    Acta Crystallogr B; 2006 Aug; 62(Pt 4):642-50. PubMed ID: 16840814
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.
    Day GM; S Motherwell WD; Jones W
    Phys Chem Chem Phys; 2007 Apr; 9(14):1693-704. PubMed ID: 17396181
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Predictability of the polymorphs of small organic compounds: crystal structure predictions of four benchmark blind test molecules.
    Chan HC; Kendrick J; Leusen FJ
    Phys Chem Chem Phys; 2011 Dec; 13(45):20361-70. PubMed ID: 21993855
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry.
    Mörschel P; Schmidt MU
    Acta Crystallogr A Found Adv; 2015 Jan; 71(Pt 1):26-35. PubMed ID: 25537386
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 14.