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tjimenezs harmonics [16 articles]

Neue Publikationen in tjimenezs Bibliothek eingetragen unter dem Bezeichner: harmonics. You can also see everyone's harmonics.
  • Generalized solvent boundary potential for computer simulations
    Journal of chemical physics, Vol. 114, No. 7. (15 February 2001), pp. 2924-2937.
    by W Im, S Berneche, B Roux
    posted to shape harmonics by tjimenez on 2008-05-09 10:45:06 as **
  • SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces.
    Journal of molecular modeling, Vol. 14, No. 5. (May 2008), pp. 393-401.
    by W Cai, J Xu, X Shao, V Leroux, A Beautrait, B Maigret
    posted to harmonics by tjimenez on 2008-05-07 18:37:45 as **
  • Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening.
    Journal of molecular graphics & modelling, Vol. 20, No. 4. (January 2002), pp. 313-328.
    by W Cai, X Shao, B Maigret
    posted to harmonics by tjimenez on 2008-05-07 18:36:05 as **
  • An evaluation of spherical designs for molecular-like surfaces.
    Journal of molecular graphics & modelling, Vol. 24, No. 5. (March 2006), pp. 356-361.
    by RJ Morris
    posted to harmonics by tjimenez on 2008-05-07 18:34:57 as **
  • An analytical, variable resolution, complete description of static molecules and their intermolecular binding properties.
    Journal of chemical information and modeling, Vol. 45, No. 4. (g 2005), pp. 1010-1016.
    by JH Lin, T Clark
    posted to harmonics by tjimenez on 2008-05-07 18:32:09 as **
  • Toward high throughput 3D virtual screening using spherical harmonic surface representations.
    Journal of chemical information and modeling, Vol. 47, No. 5. (t 2007), pp. 1787-1796.
    by L Mavridis, BD Hudson, DW Ritchie
    posted to harmonics by tjimenez on 2008-05-07 17:50:25 as **
  • Shape Variation in Protein Binding Pockets and their Ligands.
    J Mol Biol, Vol. 368, No. 1. (20 April 2007), pp. 283-301.
    by A Kahraman, RJ Morris, RA Laskowski, JM Thornton
    posted to harmonics by tjimenez on 2008-05-07 17:48:41 as ** along with 3 people jwm martainn grottenolm
  • An extension of spherical harmonics to region-based rotationally invariant descriptors for molecular shape description and comparison.
    Journal of molecular graphics & modelling, Vol. 26, No. 7. (April 2008), pp. 1035-1045.
    by L Mak, S Grandison, RJ Morris
    posted to harmonics by tjimenez on 2008-05-07 11:38:53 as **
  • Rotation invariant spherical harmonic representation of 3D shape descriptors
    (2003)
    by M Kazhdan, T Funkhouser, S Rusinkiewicz
    posted to harmonics by tjimenez on 2008-05-07 11:14:38 as **
  • Generalized solvent boundary potential for computer simulations
    Journal of Chemical Physics, Vol. 114, No. 7. (November 2000), 2924.
    by W Im, S Berneche, B Roux
    posted to harmonics by tjimenez on 2005-10-25 15:45:38 as **
  • Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis.
    J Mol Graph Model, Vol. 22, No. 5. (May 2004), pp. 441-450.
    by NV Buchete, JE Straub, D Thirumalai
    posted to harmonics by tjimenez on 2005-10-25 14:48:45 as **
  • A Fast Transform for Spherical Harmonics
    The Journal of Fourier Analysis and Appications, Vol. 5, No. 2/3. (1999)
    by MJ Mohlenkamp
    posted to harmonics by tjimenez on 2005-10-25 14:42:56 as ** along with 2 people and 2 groups innersmile nschaeff diffusion-MRI geodynamo
  • Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons -- Morris et al. 21 (10): 2347 -- Bioinformatics
    Bioinformatics, Vol. 21, No. 10. (February 2005), pp. 2347-2355.
    by RJ Morris, RJ Najmanovich, A Kahraman, JM Thornton
    posted to harmonics by tjimenez on 2005-10-25 14:13:17 as **
  • Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces
    Journal of Computational Chemistry, Vol. 20, No. 4. (8 February 1999), pp. 383-395.
    by David W Ritchie, Graham JL Kemp
    posted to harmonics by tjimenez on 2005-10-11 16:10:11 as **
  • Algorithm 567: Extended-Range Arithmetic and Normalized Legendre Polynomials [A1], [C1]
    ACM Trans. Math. Softw., Vol. 7, No. 1. (March 1981), pp. 141-146.
    by DW Lozier, JM Smith
    posted to harmonics by tjimenez on 2005-10-11 15:50:51 as **
  • Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.
    Bioinformatics, Vol. 21, No. 10. (15 May 2005), pp. 2347-2355.
    by RJ Morris, RJ Najmanovich, A Kahraman, JM Thornton
    posted to harmonics by tjimenez on 2005-05-27 13:24:30 as ** along with 1 person karbak
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