BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

171 related articles for article (PubMed ID: 16186653)

  • 1. Comparing hypothetical structures generated in the third Cambridge blind test of crystal structure prediction.
    van Eijck BP
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):528-35. PubMed ID: 16186653
    [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. Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.
    Asmadi A; Neumann MA; Kendrick J; Girard P; Perrin MA; Leusen FJ
    J Phys Chem B; 2009 Dec; 113(51):16303-13. PubMed ID: 19950907
    [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. Searching the Cambridge Structural Database for polymorphs.
    van de Streek J; Motherwell S
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):504-10. PubMed ID: 16186651
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Crystal structure prediction and isostructurality of three small molecules.
    Asmadi A; Kendrick J; Leusen FJ
    Chemistry; 2010 Nov; 16(42):12701-9. PubMed ID: 20857394
    [TBL] [Abstract][Full Text] [Related]  

  • 7. MIMUMBA revisited: torsion angle rules for conformer generation derived from X-ray structures.
    Sadowski J; Boström J
    J Chem Inf Model; 2006; 46(6):2305-9. PubMed ID: 17125173
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. 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]  

  • 11. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA; Jagielska A; Scheraga HA
    J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
    [TBL] [Abstract][Full Text] [Related]  

  • 12. PRODRG: a tool for high-throughput crystallography of protein-ligand complexes.
    Schüttelkopf AW; van Aalten DM
    Acta Crystallogr D Biol Crystallogr; 2004 Aug; 60(Pt 8):1355-63. PubMed ID: 15272157
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Overcoming entropic barrier with coupled sampling at dual resolutions.
    Lwin TZ; Luo R
    J Chem Phys; 2005 Nov; 123(19):194904. PubMed ID: 16321110
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Ab initio computational modeling of loops in G-protein-coupled receptors: lessons from the crystal structure of rhodopsin.
    Mehler EL; Hassan SA; Kortagere S; Weinstein H
    Proteins; 2006 Aug; 64(3):673-90. PubMed ID: 16729264
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular recognition and crystal energy landscapes: an X-ray and computational study of caffeine and other methylxanthines.
    Carlucci L; Gavezzotti A
    Chemistry; 2004 Dec; 11(1):271-9. PubMed ID: 15551321
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Representing structural databases in a self-organizing map.
    Wehrens R; Melssen W; Buydens L; de Gelder R
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):548-57. PubMed ID: 16186655
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Making optimal use of empirical energy functions: force-field parameterization in crystal space.
    Krieger E; Darden T; Nabuurs SB; Finkelstein A; Vriend G
    Proteins; 2004 Dec; 57(4):678-83. PubMed ID: 15390263
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum chemistry can locally improve protein crystal structures.
    Ryde U; Nilsson K
    J Am Chem Soc; 2003 Nov; 125(47):14232-3. PubMed ID: 14624544
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.