Poster Topic 02 Methods for Structure Determination
2.1. Difficult Structures
J. Nan, X.-Y. Zhang, X.-Y. Liu, Y.-H. Liang, X.-D. Su Ab-initio Structure Determination of SMU.440 Protein from Streptococcus mutans Board:1 (25 August) Download Abstract A. Heine, V. Janiak, M. Petersen, G. Klebe X-ray Structure Determination of Hydroxyphenylpyruvate Reductase at 1.47Å Resolution Board:2 (25 August) Download Abstract
2.2. Direct Methods of Phase Determination
B. Carrozzini, M. C. Burla, R. Caliandro, M. Camalli, G. L. Cascarano, L. De Caro, C. Giacovazzo, G. Polidori, R. Spagna Sir2004: New Features for ab-initio Crystal Structure Solution Board:35 (26 August) Download Abstract S. Selvanayagam, D. Velmurugan, T. Yamane High Throughput Technique in Structural Bioinformatics Board:36 (26 August) Download Abstract Y. He, Z. Lin, Y. Gu, H. Fan SAD Phasing at the Presence of Pseudo-translational Symmetry Board:37 (26 August) Download Abstract C. Weeks, N. Shah, M. Green, R. Miller, W. Furey Automated Web- and Grid-Based Protein Phasing with BnP Board:38 (26 August) Download Abstract A. B. Smith, N. Sahinidis A Deterministic Algorithm for Phasing Using Triplet and Quartet Invariants Board:39 (26 August) Download Abstract D. A. Langs, H. A. Hauptman, H. Xu Neutron Structure Determination via Macromolecular H/D Derivatives Board:40 (26 August) Download Abstract J. Yao, M. M. Woolfson, K. S. Wilson, E. J. Dodson A Modified ACORN to Solve Protein Structures at Resolutions of 1.7 A or Better Board:41 (26 August) Download Abstract
2.3. Maximum Entropy Methods
M. Tanaka, T. Shishido, M. Oku Electron Density of ScRh3Bx: Relation of the Electron Density to the Hardness Board:3 (25 August) Download Abstract
2.4. Anomalous Dispersion/MAD/MIR Phasing
Y. Kitago, N. Watanabe, I. Tanaka Structure Determination of a Novel Protein by Sulphur SAD Using Novel Crystal Mounting Method Board:1 (24 August) Download Abstract D. Siliqi, A. Altomare, M. C. Burla, R. Caliandro, L. De Caro, B. Carrozzini, G. L. Cascarano, R. Cuocci, C. Giacovazzo, A. G. Moliterni, M. Moustiakimov, G. Polidori, R. Rizzi IL MILIONE: a Complet Package for a Global Phasing, from Powders to Proteins Board:2 (24 August) Download Abstract H. Fan, Y. Gu, J. Wang, S. Huang, C. Zheng, X. Su, Y. Liang, J. Nan OASIS-2004 and Difficult SAD Phasing Board:3 (24 August) Download Abstract H. Miyatake, A. Yamano, T. Hasegawa, K. Miki A Novel Method to Prepare Iodine Derivatives for In-house Phasing Board:4 (24 August) Download Abstract D. Yao, S. Huang, J. Wang, Y. Gu, C. Zheng, H. Fan SAD Phasing at Bijvoet Ratio Below 0.6% Board:5 (24 August) Download Abstract B. Schierbeek, A. Coetzee SAD Phasing Using a Home Source, What is the Limit? Board:6 (24 August) Download Abstract G. Pompidor, J. Vicat, O. Maury, J. Vicat, R. Kahn A new Lanthanide Complex for Solving Protein Structures Using Anomalous Scattering Board:7 (24 August) Download Abstract R. Kahn, M. Stelter, R. Molina, J. A. Hermoso, J. Vicat, R. Kahn Comparative Study of the Binding of Different Gd Complexes in Protein Crystals Board:8 (24 August) Download Abstract C. Yang, H. Fan, X. Su, J. Rose, Z.-J. Liu, B. C. Wang, K. Krause, J. W. Pflugrath, J. D. Ferrara In-house S-SAD and Se-SAD Phasing with Cr-Kalpha Radiation Board:9 (24 August) Download Abstract
2.5. Laue Time Resolved Methods
2.6. Incommensurate Structure Solution
2.7. EXAFS and XANES
I. O. Fabregas, R. O. Fuentes, D. G. Lamas, M. E. Rapp, N. E. Walsöede Reca, A. F. Craievich, M. C. A. Fantini Local Structure of the Metal-oxygen Bonds in ZrO2-CeO2 Nanopowders. Board:10 (24 August) Download Abstract
2.8. High Resolution NMR and Macromolecules
2.9. Liquid Structure Determination
L. Fu, S. Brennan, A. Bienenstock X-ray Scattering Measurements of Liquid Water Board:1 (29 August) Download Abstract
2.10. Structure Prediction: Computational Methods
F. Baysen, E. Baysen Investigating the Molecular Formation Properties of 4-(2-Oxobenzothiazolin-3-Yl) Butanoic Acid Using Pm3, Am1, Mndo Methods Board:11 (24 August) Download Abstract I. A. Mossakowska, G. Wojcik Crystal Structure Prediction of Nitrobenzene Derivatives. Board:12 (24 August) Download Abstract L. Viitanen, T. A. Salminen Structural Modeling of Sterol Carrier Protein-2 from Plants Board:13 (24 August) Download Abstract L. Vella-Zarb, J. Cameron, M. Tremayne Powder Diffraction and Crystal Structure Prediction: A Two-Way Relationship? Board:14 (24 August) Download Abstract S. A. Barnett, S. Price, D. Tocher Can a Computational Search Predict Complications in Single Crystal Growth? Board:15 (24 August) Download Abstract A. Kahraman, J. M. Thornton Binding Pocket Shape Analysis for Protein Function Prediction Board:16 (24 August) Download Abstract
2.11. Ab initio Powder Diffraction Solutions: Molecular Compounds
B. Dacunha, F. Alonso, J. Meléndez, M. Yus Powder Struture Resolution of 1,7-dioxaspiro[4.4]nonane Board:4 (25 August) Download Abstract E. Nishibori, Y. Fujishiro, M. Sakata, A. Kobayashi, M. Takata, H. Kobayashi The Structure Determination of Single-component Molecular-metal. Board:5 (25 August) Download Abstract H.-S. Sheu, O. Ozgen, Y. H. Lin, E. Kendi, N. Gokhan Ab-initio Structure Determination of C18H19N4S from Powder X-Ray Diffraction Board:6 (25 August) Download Abstract A. Fitch, L. Palin Structure Determination from Powder Data of Two Sub-peptides of Leu-enkephalin Board:7 (25 August) Download Abstract W. Lasocha, A. Rafalska-Lasocha, P. Talik, M. Pawlowski Crystal Structures of 8-Styrylxanthine Analogs from Powder Diffractin Data Board:8 (25 August) Download Abstract
2.12. Ab initio Powder Diffraction Solutions: Inorganic Compounds
M. Grzywa, W. Lasocha Preparation and Crystal Structure of Tetraperoxo Complexes Board:2 (29 August) Download Abstract C. Cuocci, A. G. Moliterni, A. Altomare, I. da Silva, R. Caliandro, M. Camalli, C. Giacovazzo, R. Rizzi Space Group Determination by EXPO2005 Board:3 (29 August) Download Abstract M. François, M. Vilasi, E. Elkaim, F. Zamoum Structures in Mo-Ru-Si System by Powder and Anomal X-Ray Diffraction Board:4 (26 August) Download Abstract L. Lutterotti, M. Bortolotti Algorithms for Solving Crystal Structure Using Texture Board:5 (29 August) Download Abstract
2.13. Ab initio Powder Diffraction Solutions: Electron Diffraction
L. Meshi, L. Burlaka, M. Talianker New Tetragonal Phase in Al-Fe-U System Board:42 (26 August) Download Abstract
2.14. Ab initio Low Resolution Macromolecular Phasing
2.15. X-ray and Neutron Complementarity
S. Sasaki, T. Aki, S. Sakurai, N. Shimizu, K. Ohkubo, K. Yamawaki, T. Hanashima, T. Toyoda, T. Mori Magnetic Structure of BaFe12O19 Determined by Resonant X-ray Magnetic Scattering Board:43 (26 August) Download Abstract T. Hosoya, H. Uekusa, Y. Ohashi, T. Ohhara, R. Kuroki Neutron Diffraction Analysis of Photoisomerization of δ-Cyanobutyl Cobaloxime Board:44 (26 August) Download Abstract
2.16. Rietveld Refinement Methods
S. Mondal, M. Mukherjee Ab-initio Structure Determination of a Metal Complex from Laboratory X-ray Powder Data Board:12 (30 August) Download Abstract H. M. Park, H. J. Lee, S. J. Chung, Y. K. Cho, S. Nahm Crystal Structure Refinement of Sr(Mg1/3Nb2/3)O3 Board:13 (30 August) Download Abstract D. Moser, U. Amann, J. Ihringer Improvement of Automated Phase Analysis by Scaling on Standard Board:14 (30 August) Download Abstract
2.17. No sub theme
P. Afonine, R. W. G.-K., P. D. Adams A Robust Bulk Solvent Correction and Anisotropic Scaling Procedure in the CCTBX Board:15 (30 August) Download Abstract D. J. Rodi, R. F. Fischetti, D. B. Gore, D. Minh, S. Mandava, L. Makowski Monitoring Molecular Metamorphosis Using Wide-angle Solution Scattering Data Board:16 (30 August) Download Abstract T. Proffen Total Scattering: the Key to the Local and Medium Range Structure of Complex Materials Board:17 (30 August) Download Abstract K. Bethanis, A. Hountas, P. Tzamalis, G. Tsoucaris Structure Determination from a Quantum Mechanical Formulation in Momentum Space Board:18 (30 August) Download Abstract K. Suhre, J.-B. Claude, C. Abergel, C. Notredame, Y.-H. Sanejouand, J.-M. Claverie Molecular Replacement Via Normal Mode Analysis and Homology Modelling on the Web Board:19 (30 August) Download Abstract D. M. Toebbens HUNTER: A Package of Small Tools to Manipulate FOX Board:20 (30 August) Download Abstract M. Yoshimura, A. Nagata, T. Matsuura, Y. Kondou, A. Nakagawa, T. Tsukihara Monte Carlo Search with Many CPUs: Application to 6 dim. Molecular Replacement Board:21 (30 August) Download Abstract A. Hanson, E. Y. Cheung, S. Habershon, K. D. M. Harris Optimization of Genetic Algorithm Techniques for Powder Structure Solution Board:22 (30 August) Download Abstract S. Ciccariello, A. Cervellino Removal of the Phase Problem by the Atomicity Assumption Board:23 (30 August) Download Abstract
This is an archive of the official website for the IUCrXX Congress at Florence in 2005. Some images and text may be missing and some links no longer work.
