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Agenda
Day One - January 24
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8:00am |
Registration |
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9:00am |
New Techniques in Drug Target XTL
Session Chair - Larry DeLucas, Center for Biophysical Engineering, University of Alabama at Birmingham |
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9:05am |
A Plug-Based Microfluidic System for the Crystallization of Proteins
Cory Gerdts, University of Chicago |
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9:35am |
Keynote - Crystallization by Rational Protein Surface Engineering
Zygmunt Derewenda, University of Virginia |
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10:20am |
Coffee and networking in exhibition hall |
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11:05am |
An Automated Microseed Matrix Screening Method for Protein Crystallization
Allan D'Arcy, Novartis
Automated matrix cross seeding is a very powerful tool to generate hits in standard crystallization screens with minimum intervention. Preliminary results show a dramatic increase in the number of conditions which produce crystals. |
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11:35am |
Role of the Purification Tag in Crystal Lattice Interactions
George Minasov, Northwestern University |
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12:05pm |
Lunch and poster viewing |
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1:35pm |
New Instrumentation for HTPX
Session Chair - Bernhard Rupp, University of California at Irvine |
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1:40pm |
CrystalMationTM: Capacity, Reproducibility and Efficiency of a Fully Integrated Automatic High-throughput Crystallization Platform
Craig Sterling, Rigaku |
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2:10pm |
Keynote - Crystallization to Obtain Protein-ligand Complexes for Structure Guided Drug Design
Dennis Danley, Pfizer
A required and often limiting step in the process of structure-guided drug design (SGDD) is producing protein crystals with ligands bound to drive the iterative process. Obtaining these crystals is not always straightforward, even with crystallization conditions for the ligand-free protein well established. This talk will propose a framework and review possible factors that may be involved when such complexes are not obtained and discusses considerations one should take into account when designing successful experiments to obtain iterative co-structures. |
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2:55pm |
Coffee and networking in exhibition hall |
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3:40pm |
Title to Be Confirmed
Andrew May, Fluidigm |
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4:10pm |
Birefringence Imaging Microscopy for Protein Crystallization Experiments
Peter Nollert, Emerald Biosystems
We have built an automated birefringence imaging microscope for screening of protein crystallization trials for (i) better visual characterization of crystallization experiments and protein crystals, (ii) in-situ crystal quality assessment, (iii) analysis of precipitates and sphaerulites. |
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4:40pm |
A Universal Micromanipulation Robot for X-ray Crystallography
Robert Viola, Square One Systems Design, Inc. |
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5:10pm |
Drinks reception sponsored by Fluidigm |
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Day Two - January 25
| 9:00am |
Beamlines and Computing
Session Chair - Zygmunt Derewenda, University of Virginia |
| 9:05am |
Remote Access to SSRL Protein Crystallograhpy Beamlines
Clyde Smith, Stanford University
This talk will present a live remote access demonstration and connect to several SSRL beamlines, use the SAM robot to screen several crystals and then collect diffraction data. It will also describe the other features accessible to remote users. |
| 9:35am |
Keynote - Innovative Membrane Protein Expression Systems and Crystallization Optimization
Larry DeLucas, Center for Biophysical Engineering, University of Alabama at Birmingham |
| 10:20am |
Coffee and networking in exhibition hall |
| 11:05am |
Case Proteomics Center Beamlines for Protein Crystallography
Babu Manjasetty, Case Western Reserve University
At National Synchrotron Light Source, Case Proteomics Center (CPC) operates two tunable beamlines suitable for SAD/MAD data collection. Recent developments at these two beamlines are presented that will enable the facilities to handle the large numbers of genomics projects. |
| 11:35am |
New Approaches for Automated Macromolecular Crystal Structure Solutions
Navraj Pannu, Leiden University
Methods based on maximum likelihood and multivariate statistics have been applied to substructure detection, substructure phasing and model refinement. Results on many real test cases show the 'multivariate likelihood' methods performs favorably over currently used programs. |
| 12:05pm |
Lunch and poster viewing |
| 1:35pm |
Analysis/Use of Drug Target Structures
Session Chair - Katherine Kantardjieff, California State University - Fullerton |
| 1:40pm |
Keynote - Exploiting Crystal Structures for Modeling and Simulation in Drug Discovery
Katherine Kantardjieff, California State University - Fullerton
Crystallographic models validated by established criteria present an opportune starting point for additional computation that may provide further insights into biochemical mechanism and function, as well as successfully guide drug discovery efforts. This presentation will give an overview of some of these various applications, including comparative protein structure modeling, docking simulations, and hybrid QM/MM approaches applied to catalysis and inhibitor design, and will describe their relative advantages and limitations, as well as provide relevant examples. |
| 2:25pm |
Lead Identification Using Fragments of Life TM
Douglas Davies, deCODE Biostructures |
| 2:55pm |
Coffee and networking in exhibition hall |
| 3:40pm |
The Electronic Ligand Builder and Optimisation Workbench (e-LBOW): A Tool for Automatic Refinement of Protein-ligand Complexes
Nigel Moriarty, Lawrence Berkeley National Laboratory
The generation of chemically significate 3D geometries for novel ligands in a fast and automated fashion greatly increases the thoughput of drug discovery. |
| 4:10pm |
The Confirmation Explorer: An Integrated Environment for Protein Flexibility Analysis, Motion Prediction and Docking
Samuel Flores, Yale University
This presentation shows how our Conformation Explorer algorithm accelerates backbone motions to predict the ligand bound conformation and the protein-ligand binding energy. |
| 4:40pm |
Close of conference |
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