01.02: Computational Methods

Oral Presentations

Honolulu/Kahuku

Tuesday, July 25

		Ralf Grosse- Kunstleve and Tom Terwilliger, Chairs.
01:30 - 02:00 PM	01.02.01 (W0182)	Ethan Merritt. Protein Structure as a Blurred Snapshot - Dynamic Information from a Static Experiment.
02:00 - 02:30 PM	01.02.02 (W0549)	Nicholas Furnham. Explorations in Conformational Space: Revealing Inaccuracy and Heterogeneity in Crystal Structures. et al: Tom Blundell.
02:30 - 03:00 PM	01.02.03 (W0624)	Charles Weeks. Adapting BnP for Different Computing Environments. et al: Stephen Potter, Naimesh Shah, Hongliang Xu, Mark Green, Russ Miller, Lakshminarasimhulu Pasupulati, William Furey.
03:00 - 03:30 PM		Coffee Break.
03:30 - 04:00 PM	01.02.04 (W0031)	Min Yao. Automated Refinement for Protein Crystallography. et al: Yong Zhou, Isao Tanaka.
04:00 - 04:30 PM	01.02.05 (W0054)	Serge X. Cohen. Enhancing the Capabilities of ARP/wARP. et al: Krista Joosten, Marouane Ben Jelloul, Victor Lamzin, Anastassis Perrakis.
04:30 - 05:00 PM	01.02.06 (W0272)	Pavel Afonine. Automated Structure Refinement in PHENIX: Recent Advances and New Algorithms. et al: Ralf Grosse-Kunstleve, Peter Zwart, Paul Adams.

Poster Presentations

Hawaii Ballroom

Tuesday, July 25

T-P085 (E0014)	Towards Data Management for PX Structure Determination Within CCP4. Peter Briggs, Wanjuan Yang.
T-P087 (W0095)	Complete Automation of Molecular Replacement. Fei Long, A. A. Vagin, N. N. Murshudov.
T-P089 (W0242)	Computational Studies at the Micromolecule/Macromolecule Interface. William Gleason, Eric Johnson, Derek Straka, Jane Shvelidze, Caroline Nibbe, David MadcDonald, Jack Anderson.
T-P091 (W0312)	Generation of Atomic Coordinates from Time-resolved X-ray Diffraction Data. George Phillips, Elena Levin, Roman Aranda.
T-P093 (W0322)	Auto-Rickshaw: An Automated Crystal Structure Determination as an Efficient Tool to Validate an X-ray Diffraction Experiment. Manfred Weiss, Venkataram Parthasarathy, Victor Lamzin, Paul Tucker, Santosh Panjikar.
T-P095 (W0424)	Diffraction Image Ranking and Data Collection Strategy. J. W. Pflugrath, T. J. Niemeyer, Angela Criswell, Robert Bolotovsky.
T-P097 (W0450)	Finding the Best Composite Model from Multiple Sources. Dusan Turk, Maksymilian Chruszcz, Marcin Cymborowski, Zbyszek Otwinowski, Wladek Minor.
T-P099 (W0561)	High Transition State Affinity by TrpRS Coincides with an Unstable Protein Conformation. Charles Carter, Maryna Kapustina, Violetta Weinreb.
T-P101 (W0580)	The Use of Shape and Pharmacophore in High Throughput Crystallography Refinements and Lead Hopping: An Application Study. Samuel Toba, Dipesh Risal, Jon Sutter, Daniel Berard, Zeljko Dzakula.
T-P105 (W0513)	Rapid and Automated Substructure Determination. Hongliang Xu, Charles M. Weeks, Herbert A. Hauptman.
M-P130 (W0073)	Solution of Protein Crystallographic Structures by High Pressure Cryocooling and Noble Gas Phasing. Chae Un Kim, Quan Hao, Sol M. Gruner.
M-P132 (W0192)	A Prediction System for Protein Crystallization Conditions. Koji Inaka, Shigeru Sugiyama, Fujiko Shibata, Yoshiko Kobayashi, Kaoru Sugimori, Michiyo Takeuchi, Jose Martin Ciloy, Masato Kitajima.
M-P134 (W0466)	Gene Composer: A Tool for Designing and Optimizing Protein Constructs for X-ray Crystallography. Mark Mixon, John Walchli, Kai Post, Peter Nollert, Lance Stewart, Alex Burgin.
T-P204 (W0653)	MrBUMP, an Automated Framework for Doing Molecular Replacement in Protein Crystallography. Ronan Keegan, Martyn Winn.

Contact: aca-inquiries@hwi.buffalo.edu

Last updated: Tue Jul 25 17:48:21 2006

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